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List of works by Jens Meiler

3D-QSAR CoMFA study of benzoxazepine derivatives as mGluR5 positive allosteric modulators

scientific article published on 30 July 2010

<scp>MutationExplorer</scp>: a webserver for mutation of proteins and 3D visualization of energetic impacts

scientific article published in 2024

A Conserved Hydrophobic Core in Gαi1 Regulates G Protein Activation and Release from Activated Receptor

scientific article

A Conserved Phenylalanine as a Relay between the  5 Helix and the GDP Binding Region of Heterotrimeric Gi Protein   Subunit

scientific article

A Correspondence Between Solution-State Dynamics of an Individual Protein and the Sequence and Conformational Diversity of its Family

scientific article

A Deep Hydrophobic Binding Cavity is the Main Interaction for Different Y2 R Antagonists.

scientific article published on 22 November 2016

A Derived Allosteric Switch Underlies the Evolution of Conditional Cooperativity between HOXA11 and FOXO1.

scientific article published on 26 May 2016

A Newly Discovered TSHR Variant (L665F) Associated With Nonautoimmune Hyperthyroidism in an Austrian Family Induces Constitutive TSHR Activation by Steric Repulsion Between TM1 and TM7

scientific article published on 20 June 2014

A Structural Study of CESA1 Catalytic Domain of Arabidopsis Cellulose Synthesis Complex: Evidence for CESA Trimers

scientific article published on 10 November 2015

A Thorough Dynamic Interpretation of Residual Dipolar Couplings in Ubiquitin

scientific article published on 01 February 2006

A conserved asparagine residue in transmembrane segment 1 (TM1) of serotonin transporter dictates chloride-coupled neurotransmitter transport

scientific article

A model for the solution structure of the rod arrestin tetramer

scientific article published on June 2008

A new approach for applying residual dipolar couplings as restraints in structure elucidation

scientific article published in March 2000

A physical model for PDZ-domain/peptide interactions.

scientific article published on 12 May 2010

A structural model of the complex formed by phospholamban and the calcium pump of sarcoplasmic reticulum obtained by molecular mechanics

scientific article published in December 2002

A unified hydrophobicity scale for multispan membrane proteins

scientific article

A unified structural model of the mammalian translocator protein (TSPO)

scientific article published on 26 June 2019

Ab initio protein modeling into CryoEM density maps using EM-Fold

scientific article published on 3 February 2012

Accessing ns-micros side chain dynamics in ubiquitin with methyl RDCs

scientific article published on 04 August 2009

Accurate Prediction of Contact Numbers for Multi-Spanning Helical Membrane Proteins.

scientific article published on 24 January 2016

Addendum to “Using neural networks for 13C NMR chemical shift prediction—comparison with traditional methods” [J. Magn. Reson. 157 (2002) 242–252]

Algorithm for selection of optimized EPR distance restraints for de novo protein structure determination

scientific article

Allosteric modulation of metabotropic glutamate receptors: structural insights and therapeutic potential

scientific article published on 14 July 2010

An Acquired HER2T798I Gatekeeper Mutation Induces Resistance to Neratinib in a Patient with HER2 Mutant-Driven Breast Cancer.

scientific article

An Investigation of Three-Finger Toxin-nAChR Interactions through Rosetta Protein Docking

scientific article published on 16 September 2020

An allosteric mechanism for drug block of the human cardiac potassium channel KCNQ1.

scientific article published on 28 November 2012

Analysis of nidogen-1/laminin γ1 interaction by cross-linking, mass spectrometry, and computational modeling reveals multiple binding modes

scientific article

Antibodies: Computer-Aided Prediction of Structure and Design of Function.

scientific article

Assessing multiple score functions in Rosetta for drug discovery

scientific article published on 12 October 2020

Assessment and challenges of ligand docking into comparative models of G-protein coupled receptors

scientific article (publication date: 2013)

Autocorrelation descriptor improvements for QSAR: 2DA_Sign and 3DA_Sign

scientific article published on 31 December 2015

Automated structure elucidation of organic molecules from (13)c NMR spectra using genetic algorithms and neural networks

scientific article published in November 2001

BCL::Align-sequence alignment and fold recognition with a custom scoring function online

scientific article published on 07 June 2008

BCL::Conf: small molecule conformational sampling using a knowledge based rotamer library

scientific article (publication date: 2015)

BCL::EM-Fit: rigid body fitting of atomic structures into density maps using geometric hashing and real space refinement

scientific article

BCL::EMAS--enantioselective molecular asymmetry descriptor for 3D-QSAR.

scientific article published on 20 August 2012

BCL::Fold--de novo prediction of complex and large protein topologies by assembly of secondary structure elements

scientific article (publication date: 2012)

BCL::Fold--protein topology determination from limited NMR restraints.

scientific article

BCL::MP-fold: Membrane protein structure prediction guided by EPR restraints ⬇️

scientific article

BCL::MP-fold: folding membrane proteins through assembly of transmembrane helices

scientific article

BCL::Mol2D-a robust atom environment descriptor for QSAR modeling and lead optimization

scientific article published on 06 April 2019

BCL::MolAlign: Three-Dimensional Small Molecule Alignment for Pharmacophore Mapping

scientific article published on 12 February 2019

BCL::SAXS: GPU accelerated Debye method for computation of small angle X-ray scattering profiles

scientific article published on July 2015

BCL::Score--knowledge based energy potentials for ranking protein models represented by idealized secondary structure elements

scientific article

BCL::contact-low confidence fold recognition hits boost protein contact prediction and de novo structure determination.

scientific article

Benchmarking ligand-based virtual High-Throughput Screening with the PubChem database

scientific article

Better together: Elements of successful scientific software development in a distributed collaborative community

scientific article published on 04 May 2020

Bound to be different: neurotransmitter transporters meet their bacterial cousins

scientific article published on December 2007

CASP10-BCL::Fold efficiently samples topologies of large proteins.

scientific article

CASP11--An Evaluation of a Modular BCL::Fold-Based Protein Structure Prediction Pipeline.

scientific article

CASP6 assessment of contact prediction.

scientific article

Carbon and amide detect backbone assignment methods of a novel repeat protein from the staphylocoagulase in S. aureus

scientific article published on 17 August 2017

Cellular manganese content is developmentally regulated in human dopaminergic neurons

scientific article

Characterization and modeling of the oligomeric state and ligand binding behavior of purified translocator protein 18 kDa from Rhodobacter sphaeroides

scientific article published on 16 August 2013

Characterization of the Domain Orientations of E. coli 5'-Nucleotidase by Fitting an Ensemble of Conformers to DEER Distance Distributions

scientific article published on 23 December 2015

Comparative modeling and docking of chemokine-receptor interactions with Rosetta

scientific article published on 07 January 2020

Comprehensive Analysis of Constraint on the Spatial Distribution of Missense Variants in Human Protein Structures

scientific article

Computational and functional analyses of a small-molecule binding site in ROMK.

scientific article

Computational design of an endo-1,4- -xylanase ligand binding site

scientific article

Computational design of membrane proteins using RosettaMembrane.

scientific article published in November 2017

Computational design of protein-ligand interfaces: potential in therapeutic development

scientific article published on 04 February 2011

Computational design of protein-small molecule interfaces

scientific article

Computational determination of the orientation of a heat repeat-like domain of DNA-PKcs

scientific article published on 19 November 2012

Computational identification of HCV neutralizing antibodies with a common HCDR3 disulfide bond motif in the antibody repertoires of infected individuals

scientific article published on 08 June 2022

Computational methods in drug discovery

scientific article

Computational modeling of laminin N-terminal domains using sparse distance constraints from disulfide bonds and chemical cross-linking

scientific article (publication date: December 2010)

Computational redesign of a fluorogen activating protein with Rosetta

scientific article published on 08 November 2021

Computationally Designed Cyclic Peptides Derived from an Antibody Loop Increase Breadth of Binding for Influenza Variants

scientific article published on 11 May 2020

Conformation of receptor-bound visual arrestin

scientific article

Conformational Shift of a β-Hairpin Peptide upon Complex Formation with an Oligo-proline Peptide Studied by Mass Spectrometry

scientific article published on 19 August 2016

Conformational flexibility and structural dynamics in GPCR-mediated G protein activation: a perspective

scientific article published on 16 April 2013

Consensus queries in ligand-based virtual screening experiments

scientific article published on 28 November 2017

Contribution of Cotranslational Folding Defects to Membrane Protein Homeostasis

scientific article published on 26 December 2018

Correction: An Acquired HER2 T798I Gatekeeper Mutation Induces Resistance to Neratinib in a Patient with HER2 Mutant-Driven Breast Cancer

scientific article published on 01 February 2019

Correction: PIK3CA C2 Domain Deletions Hyperactivate Phosphoinositide 3-kinase (PI3K), Generate Oncogene Dependence, and Are Exquisitely Sensitive to PI3Kα Inhibitors

scientific article published on 01 February 2019

Coupled prediction of protein secondary and tertiary structure

scientific article

De novo high-resolution protein structure determination from sparse spin-labeling EPR data.

scientific article

Delineating the Molecular Basis of the Calmodulin‒bMunc13-2 Interaction by Cross-Linking/Mass Spectrometry-Evidence for a Novel CaM Binding Motif in bMunc13-2

scientific article published on 07 January 2020

Design and directed evolution of a dideoxy purine nucleoside phosphorylase

scientific article

Design of Protein Multi-specificity Using an Independent Sequence Search Reduces the Barrier to Low Energy Sequences

scientific article published on 6 July 2015

Design of native-like proteins through an exposure-dependent environment potential

scientific article published on 19 September 2011

Determination of aliphatic side-chain conformation using cross-correlated relaxation: application to an extraordinarily stable 2'-aminoethoxy-modified oligonucleotide triplex

scientific article published in August 2001

Development of Erasin: a chromone-based STAT3 inhibitor which induces apoptosis in Erlotinib-resistant lung cancer cells

scientific article published on 12 December 2017

Development of a selective small-molecule inhibitor of Kir1.1, the renal outer medullary potassium channel

scientific article

DiB-splits: nature-guided design of a novel fluorescent labeling split system

scientific article published on 06 July 2020

DipoCoup: A versatile program for 3D-structure homology comparison based on residual dipolar couplings and pseudocontact shifts

scientific article published in August 2000

Dipolar couplings in multiple alignments suggest alpha helical motion in ubiquitin

scientific article published in July 2003

Discoidin domain receptor 1 (DDR1) kinase as target for structure-based drug discovery

scientific article

Discoidin domain receptor 1 kinase activity is required for regulating collagen IV synthesis

scientific article published on 30 November 2016

Discovery and characterization of novel subtype-selective allosteric agonists for the investigation of M(1) receptor function in the central nervous system

scientific article published on January 2010

Discovery of 2-(2-benzoxazoyl amino)-4-aryl-5-cyanopyrimidine as negative allosteric modulators (NAMs) of metabotropic glutamate receptor 5 (mGlu₅): from an artificial neural network virtual screen to an in vivo tool compound

scientific article

Discovery of Marburg virus neutralizing antibodies from virus-naïve human antibody repertoires using large-scale structural predictions

scientific article published on 23 November 2020

Discovery of Small-Molecule Modulators of the Human Y4 Receptor

scientific article

Discovery, Characterization, and Effects on Renal Fluid and Electrolyte Excretion of the Kir4.1 Potassium Channel Pore Blocker, VU0134992

scientific article published on 12 June 2018

Documentation of an Imperative To Improve Methods for Predicting Membrane Protein Stability

scientific article published on 30 August 2016

EGFR Fusions as Novel Therapeutic Targets in Lung Cancer

scientific article published on 21 April 2016

EGFR Kinase Domain Duplication (EGFR-KDD) Is a Novel Oncogenic Driver in Lung Cancer That Is Clinically Responsive to Afatinib

scientific article

EM-fold: De novo folding of alpha-helical proteins guided by intermediate-resolution electron microscopy density maps.

scientific article

EM-fold: de novo atomic-detail protein structure determination from medium-resolution density maps

scientific article

Efficacy and safety of gemcitabine, oxaliplatin, and paclitaxel in cisplatin-refractory germ cell cancer in routine care--Registry data from an outcomes research project of the German Testicular Cancer Study Group

scientific article

Energetic analysis of the rhodopsin-G-protein complex links the α5 helix to GDP release

scientific article published on December 2013

Ensuring scientific reproducibility in bio-macromolecular modeling via extensive, automated benchmarks

scientific article published on 29 November 2021

Evaluation of TSPO PET Ligands [18F]VUIIS1009A and [18F]VUIIS1009B: Tracers for Cancer Imaging

scientific article published on 16 November 2016

Expanding the utility of NMR restraints with paramagnetic compounds: background and practical aspects

scientific article

Exploration of allosteric agonism structure-activity relationships within an acetylene series of metabotropic glutamate receptor 5 (mGlu5) positive allosteric modulators (PAMs): discovery of 5-((3-fluorophenyl)ethynyl)-N-(3-methyloxetan-3-yl)picolin

scientific article

Exploring Symmetry as an Avenue to the Computational Design of Large Protein Domains

scientific article

Exposure conditions in x-ray pictures with flat angle transmission of the image-carrier layers

scientific article published on December 1, 1973

Fast determination of 13C NMR chemical shifts using artificial neural networks

scientific article

Feasibility of preemptive biomarker profiling for personalised early clinical drug development at a Comprehensive Cancer Center

scientific article published on 19 July 2013

Federating Structural Models and Data: Outcomes from A Workshop on Archiving Integrative Structures

scientific article published on 25 November 2019

Finding the needle in the haystack: towards solving the protein-folding problem computationally.

scientific article

Free modeling with Rosetta in CASP6

scientific article

Fully Flexible Docking of Medium Sized Ligand Libraries with RosettaLigand

scientific article published on 24 July 2015

Genetic analysis of the localization of APOBEC3F to human immunodeficiency virus type 1 virion cores

scientific article

Genius: a genetic algorithm for automated structure elucidation from 13C NMR spectra

scientific article published in March 2002

Guanylate Cyclase-Activating Protein-2 Undergoes Structural Changes upon Binding to Detergent Micelles and Bicelles.

scientific article

Heterogeneity of the GFP fitness landscape and data-driven protein design

scientific article published on 05 May 2022

High-Throughput Functional Evaluation of KCNQ1 Decrypts Variants of Unknown Significance

scientific article published on 01 November 2018

High-Throughput Screening Assay Datasets from the PubChem Database

Holistic Approach to Partial Covalent Interactions in Protein Structure Prediction and Design with Rosetta

scientific article published on 19 April 2018

Human Rotavirus VP6-Specific Antibodies Mediate Intracellular Neutralization by Binding to a Quaternary Structure in the Transcriptional Pore

scientific article

Human VH1-69 Gene-Encoded Human Monoclonal Antibodies against Staphylococcus aureus IsdB Use at Least Three Distinct Modes of Binding To Inhibit Bacterial Growth and Pathogenesis

scientific article published on 22 October 2019

Human antibodies that neutralize respiratory droplet transmissible H5N1 influenza viruses

scientific article

Human antibodies that neutralize respiratory droplet transmissible H5N1influenza viruses.

scientific article published in November 2013

Human germline antibody gene segments encode polyspecific antibodies

scientific article

Human-likeness of antibody biologics determined by back-translation and comparison with large antibody variable gene repertoires

scientific article published on 01 January 2020

Hybrid approaches: applying computational methods in cryo-electron microscopy

scientific article

Identification and Characterization of the First Selective Y4 Receptor Positive Allosteric Modulator

scientific article published on 10 August 2017

Identification of Metabotropic Glutamate Receptor Subtype 5 Potentiators Using Virtual High-Throughput Screening

scientific article

Identification of Novel Allosteric Modulators of Metabotropic Glutamate Receptor Subtype 5 Acting at Site Distinct from 2-Methyl-6-(phenylethynyl)-pyridine Binding

scientific article published on 17 June 2019

Identification of a ubiquitin-binding interface using Rosetta and DEER.

scientific article published on 2 January 2018

Identification of determinants required for agonistic and inverse agonistic ligand properties at the ADP receptor P2Y12.

scientific article

Identification of specific ligand-receptor interactions that govern binding and cooperativity of diverse modulators to a common metabotropic glutamate receptor 5 allosteric site

scientific article published on 26 February 2014

IgG4-related disease: Association with a rare gene variant expressed in cytotoxic T cells.

scientific article published on 16 April 2019

Immune repertoire fingerprinting by principal component analysis reveals shared features in subject groups with common exposures

scientific article published on 04 December 2019

Improved in Vitro Folding of the Y2 G Protein-Coupled Receptor into Bicelles

scientific article published in January 2017

Improved prediction of trans-membrane spans in proteins using an Artificial Neural Network

scientific article published on 01 March 2009

Improving Loop Modeling of the Antibody Complementarity-Determining Region 3 Using Knowledge-Based Restraints

scientific article

Improving homology modeling from low-sequence identity templates in Rosetta: A case study in GPCRs

scientific article published on 28 October 2020

Improving prediction of helix-helix packing in membrane proteins using predicted contact numbers as restraints

scientific article published in April 2017

Improving quantitative structure-activity relationship models using Artificial Neural Networks trained with dropout

scientific article published on February 2016

In silico analysis and experimental verification of OSR1 kinase - Peptide interaction

scientific article

Individual dose and scheduling determine the efficacy of combining cytotoxic anticancer agents with a kinase inhibitor in non-small-cell lung cancer

scientific article

Insight on mutation-induced resistance to anaplastic lymphoma kinase inhibitor ceritinib from molecular dynamics simulations

scientific article published on 21 January 2019

Integrated Structural Biology for α-Helical Membrane Protein Structure Determination

scholarly article by Yan Xia published in April 2018

Integrated Structural Modeling of Full-Length LRH-1 Reveals Inter-domain Interactions Contribute to Receptor Structure and Function

scientific article published on 13 May 2020

Integrating linear optimization with structural modeling to increase HIV neutralization breadth.

scientific article published on 16 February 2018

Integrating solid-state NMR and computational modeling to investigate the structure and dynamics of membrane-associated ghrelin

scientific article

Integrative Protein Modeling in RosettaNMR from Sparse Paramagnetic Restraints

scientific article published on 12 September 2019

Interaction of a G protein with an activated receptor opens the interdomain interface in the alpha subunit

scientific article

Interfaces Between Alpha-helical Integral Membrane Proteins: Characterization, Prediction, and Docking

scientific article published on 25 May 2019

Inverted topologies in membrane proteins: a mini-review

scientific article

Iterative Molecular Dynamics-Rosetta Protein Structure Refinement Protocol to Improve Model Quality.

scientific article

Iterative experimental and virtual high-throughput screening identifies metabotropic glutamate receptor subtype 4 positive allosteric modulators

scientific article

Ligand-based virtual screen for the discovery of novel M5 inhibitor chemotypes

scientific article

Ligand-mimicking receptor variant discloses binding and activation mode of prolactin-releasing peptide

scientific article

Limitations of detail recognition in radiographs due to threshold contrast values (author's transl) ⬇️

scientific article published on August 1, 1977

Long antibody HCDR3s from HIV-naïve donors presented on a PG9 neutralizing antibody background mediate HIV neutralization

scientific article published on 4 April 2016

MHC-II alleles shape the CDR3 repertoires of conventional and regulatory naïve CD4+ T cells

scientific article published on 01 June 2020

ML418: The First Selective, Sub-Micromolar Pore Blocker of Kir7.1 Potassium Channels

scientific article published on 16 May 2016

Macromolecular modeling and design in Rosetta: recent methods and frameworks

scientific article published on 01 June 2020

Measurement of aptamer-protein interactions with back-scattering interferometry

scientific article

Mechanisms of KCNQ1 channel dysfunction in long QT syndrome involving voltage sensor domain mutations.

scientific article

Membrane protein contact and structure prediction using co-evolution in conjunction with machine learning

scientific article

Membrane protein structure determination using paramagnetic tags

scientific article

Model-Free Analysis of Protein Backbone Motion from Residual Dipolar Couplings

article

Model-Free Approach to the Dynamic Interpretation of Residual Dipolar Couplings in Globular Proteins

article

Modeling the complete chemokine-receptor interaction

scientific article published on 01 November 2018

Modulation transfer function of the radiograph (author's transl) ⬇️

scientific article published on December 1, 1976

Modulation transmission function and detail recognition in tomograms (author's transl) ⬇️

scientific article published on December 1, 1977

Molecular architecture of the human caveolin-1 complex

scientific article published on 11 May 2022

Mono(2-ethylhexyl) phthalate (MEHP) and mono(2-ethyl-5-oxohexyl) phthalate (MEOHP) but not di(2-ethylhexyl) phthalate (DEHP) bind productively to the peroxisome proliferator-activated receptor γ

scientific article published on 01 January 2019

Multi-state design of flexible proteins predicts sequences optimal for conformational change

scientific article published on 07 February 2020

Multistate design of influenza antibodies improves affinity and breadth against seasonal viruses

article published in the Proceedings of the National Academy of Sciences of the United States of America

Negative regulation of CD4 expression in T cells by the transcriptional repressor ZEB.

scientific article published on October 1999

New algorithms and an in silico benchmark for computational enzyme design

scientific article published on December 2006

Novel methods of automated structure elucidation based on 13C NMR spectroscopy

scientific article published in December 2004

Octarellin VI: using rosetta to design a putative artificial (β/α)8 protein

scientific article (publication date: 2013)

On-target Resistance to the Mutant-Selective EGFR Inhibitor Osimertinib Can Develop in an Allele-Specific Manner Dependent on the Original EGFR-Activating Mutation

scientific article published on 22 February 2019

Opportunities and challenges in the discovery of allosteric modulators of GPCRs for treating CNS disorders

scientific article

Origin and prediction of free-solution interaction studies performed label-free.

scientific article

Outcome of the First wwPDB Hybrid/Integrative Methods Task Force Workshop

scientific article published on 18 June 2015

PIK3CA C2 Domain Deletions Hyperactivate Phosphoinositide 3-kinase (PI3K), Generate Oncogene Dependence, and Are Exquisitely Sensitive to PI3Kα Inhibitors

scientific article published on 28 December 2017

PROSHIFT: Protein chemical shift prediction using artificial neural networks

scientific article (publication date: 2003)

Pancreatic polypeptide is recognized by two hydrophobic domains of the human Y4 receptor binding pocket.

scientific article published on 27 December 2013

Personalized biochemistry and biophysics

scientific article published on 15 April 2015

Perspective on computational and structural aspects of kinase discovery from IPK2014

scientific article

Pharmacological evaluation of new constituents of "Spice": synthetic cannabinoids based on indole, indazole, benzimidazole and carbazole scaffolds.

scientific article

Phenotypic Profiling in Subjects Heterozygous for 1 of 2 Rare Variants in the Hypophosphatasia Gene (ALPL)

scientific article published on 28 June 2020

Pore Polarity and Charge Determine Differential Block of Kir1.1 and Kir7.1 Potassium Channels by Small-Molecule Inhibitor VU590.

scientific article published on 15 June 2017

Position and length of fatty acids strongly affect receptor selectivity pattern of human pancreatic polypeptide analogues

scientific article

Potential of fragment recombination for rational design of proteins

scientific article

Potently neutralizing and protective human antibodies against SARS-CoV-2

scientific article published on 15 July 2020

Practically useful: what the Rosetta protein modeling suite can do for you

scientific article

Pre-filtration of an x-ray source and the radiation exposure of patients

scientific article published in April 1989

Predicting the Functional Impact of KCNQ1 Variants of Unknown Significance.

scientific article published in October 2017

Predicting the functional impact of KCNQ1 variants with artificial neural networks

scientific article published on 20 April 2022

Prediction of HIV-1 protease/inhibitor affinity using RosettaLigand

scientific article published on 19 March 2012

Prediction of amphipathic helix-membrane interactions with Rosetta

scientific article published on 17 March 2021

Probing biophysical sequence constraints within the transmembrane domains of rhodopsin by deep mutational scanning

scientific article published on 04 March 2020

Probing the metabotropic glutamate receptor 5 (mGlu₅) positive allosteric modulator (PAM) binding pocket: discovery of point mutations that engender a "molecular switch" in PAM pharmacology

scientific article published on 26 February 2013

Projection Angle Restraints for Studying Structure and Dynamics of Biomolecules

scientific article published on 01 January 2004

Prostaglandin E2 glyceryl ester is an endogenous agonist of the nucleotide receptor P2Y6

scientific article

Protein contact prediction from amino acid co-evolution using convolutional networks for graph-valued images ⬇️

scientific article published in January 2016

Protein structure aids predicting functional perturbation of missense variants in and

Protein structure prediction guided by crosslinking restraints--A systematic evaluation of the impact of the crosslinking spacer length ⬇️

scientific article

Protein structure prediction using sparse NOE and RDC restraints with Rosetta in CASP13

scientific article published on 18 July 2019

Protein-Ligand Docking with Protein-based and Ligand-based Structure Activity Relationships

Protocols for Molecular Modeling with Rosetta3 and RosettaScripts

scientific article published on 04 August 2016

Protonation-dependent conformational dynamics of the multidrug transporter EmrE.

scientific article published on 19 January 2016

Pushing the size limit of de novo structure ensemble prediction guided by sparse SDSL-EPR restraints to 200 residues: The monomeric and homodimeric forms of BAX

scientific article

PyIR: a scalable wrapper for processing billions of immunoglobulin and T cell receptor sequences using IgBLAST

scientific article published on 16 July 2020

Pyruvate formate-lyase interacts directly with the formate channel FocA to regulate formate translocation

scientific article

Quantitative Structure-Activity Relationship Modeling of Kinase Selectivity Profiles.

scientific article

ROSETTA3: an object-oriented software suite for the simulation and design of macromolecules

scientific article (publication date: 2011)

ROSETTALIGAND: protein-small molecule docking with full side-chain flexibility

scientific article published in November 2006

Radiation burden of the patient in roentgen exposures

scientific article published in February 1987

Rapid Simulation of Unprocessed DEER Decay Data for Protein Fold Prediction

scientific article published on 18 December 2019

Rapid protein fold determination using unassigned NMR data

scientific article

Rearrangement of the Extracellular Domain/Extracellular Loop 1 Interface Is Critical for Thyrotropin Receptor Activation

scientific article published on 26 April 2016

Recognition dynamics up to microseconds revealed from an RDC-derived ubiquitin ensemble in solution

scientific article

Reconstruction of SAXS Profiles from Protein Structures

scientific article

Redesigned HIV antibodies exhibit enhanced neutralizing potency and breadth

scientific article

Residual dipolar couplings as a tool to study molecular recognition of ubiquitin.

scientific article published on December 2008

Role of Non-local Interactions between CDR Loops in Binding Affinity of MR78 Antibody to Marburg Virus Glycoprotein.

scientific article published on 14 November 2017

Role of antibody heavy and light chain interface residues in affinity maturation of binding to HIV envelope glycoprotein

article

Rosetta Ligand Docking with Flexible XML Protocols ⬇️

scientific article published on January 1, 2012

Rosetta and the Design of Ligand Binding Sites.

scientific article

Rosetta design with co-evolutionary information retains protein function

scientific article published on 19 January 2021

Rosetta predictions in CASP5: successes, failures, and prospects for complete automation.

scientific article

RosettaEPR: an integrated tool for protein structure determination from sparse EPR data

scientific article

RosettaEPR: rotamer library for spin label structure and dynamics

scientific article

RosettaLigandEnsemble: A Small-Molecule Ensemble-Driven Docking Approach.

scientific article

RosettaScripts: a scripting language interface to the Rosetta macromolecular modeling suite

scientific article (publication date: 2011)

Second-site suppressors of HIV-1 capsid mutations: restoration of intracellular activities without correction of intrinsic capsid stability defects

scientific article

Selective mode of action of guanidine-containing non-peptides at human NPFF receptors

scientific article published on 26 June 2012

Self-consistent residual dipolar coupling based model-free analysis for the robust determination of nanosecond to microsecond protein dynamics.

scientific article

Side-Chain Orientation and Hydrogen-Bonding Imprint Supra-τc Motion on the Protein Backbone of Ubiquitin

scientific article published on 01 December 2005

Simultaneous prediction of binding free energy and specificity for PDZ domain-peptide interactions

scientific article published on 5 December 2013

Simultaneous prediction of protein secondary structure and transmembrane spans

scientific article published on 10 April 2013

Small-molecule ligand docking into comparative models with Rosetta

scientific article published on 06 June 2013

Solvent accessible surface area approximations for rapid and accurate protein structure prediction.

scientific article

Specificity and affinity of the N-terminal residues in staphylocoagulase in binding to prothrombin

scientific article published on 10 March 2020

Strand-loop-strand motifs: prediction of hairpins and diverging turns in proteins

scientific article published in February 2004

Structural Basis of the Activity of the Microtubule-Stabilizing Agent Epothilone A Studied by NMR Spectroscopy in Solution

scientific article published on 01 January 2007

Structural Model of Ghrelin Bound to its G Protein-Coupled Receptor

scientific article published on 24 January 2019

Structural basis for KCNE3 modulation of potassium recycling in epithelia

scientific article published on 09 September 2016

Structural basis for nonneutralizing antibody competition at antigenic site II of the respiratory syncytial virus fusion protein

scientific article published on 17 October 2016

Structural basis of ligand binding modes at the neuropeptide Y Y1 receptor

scientific article published on 18 April 2018

Structural determinants of species-selective substrate recognition in human and Drosophila serotonin transporters revealed through computational docking studies

scientific article published on February 2009

Structural models for the KCNQ1 voltage-gated potassium channel

scientific article published on 14 November 2007

Structural, functional, and behavioral insights of dopamine dysfunction revealed by a deletion in SLC6A3

scientific article published on 12 February 2019

Structure and Dynamics of Type III Secretion Effector Protein ExoU As determined by SDSL-EPR Spectroscopy in Conjunction with De Novo Protein Folding

scientific article

Structure and Function of the Transmembrane Domain of NsaS, an Antibiotic Sensing Histidine Kinase in Staphylococcus aureus.

scientific article

Structure and mechanism of the phage T4 recombination mediator protein UvsY.

scientific article published on 7 March 2016

Structure and physiological function of the human KCNQ1 channel voltage sensor intermediate state

scientific article published on 25 February 2020

Structure of KCNE1 and Implications for How It Modulates the KCNQ1 Potassium Channel † ‡

scientific article

Structure of a class C GPCR metabotropic glutamate receptor 1 bound to an allosteric modulator

scientific article

Structures Illuminate Cardiac Ion Channel Functions in Health and in Long QT Syndrome

scientific article published on 04 May 2020

The High-Resolution Solution Structure of Epothilone A Bound to Tubulin: An Understanding of the Structure–Activity Relationships for a Powerful Class of Antitumor Agents

scholarly article by Teresa Carlomagno et al published 6 June 2003 in Angewandte Chemie International Edition

The INPHARMA Method: Protein-Mediated Interligand NOEs for Pharmacophore Mapping

scientific article published on 01 July 2005

The Impact of Natural Selection on the Evolution and Function of Placentally Expressed Galectins

scientific article published on 01 September 2019

The Kir channel immunoglobulin domain is essential for Kir1.1 (ROMK) thermodynamic stability, trafficking and gating

scientific journal article

The Marburgvirus-Neutralizing Human Monoclonal Antibody MR191 Targets a Conserved Site to Block Virus Receptor Binding

scientific article published in January 2018

The Predictive Power of Different Types of Experimental Restraints in Small Molecule Docking: A Review

scientific article published on 29 December 2017

The STAT5b Linker Domain Mediates the Selectivity of Catechol Bisphosphates for STAT5b over STAT5a

scientific article published on 18 March 2019

The Tubulin-Bound Conformation of Discodermolide Derived by NMR Studies in Solution Supports a Common Pharmacophore Model for Epothilone and Discodermolide

article

The activity of prolactin releasing peptide correlates with its helicity

scientific article

The effect of increased performance of modern x-ray tubes on improvements in picture quality, particularly of moving organs (author's transl) ⬇️

scientific article published on July 1, 1976

The evolutionarily conserved residue A653 plays a key role in HERG channel closing.

scientific article published on 30 April 2009

The fumarate sensor DcuS: progress in rapid protein fold elucidation by combining protein structure prediction methods with NMR spectroscopy.

scientific article

The homology model of PMP22 suggests mutations resulting in peripheral neuropathy disrupt transmembrane helix packing

scientific article

The impact of natural selection on the evolution and function of placentally expressed galectins: Supplementary Tables, Figures and Files

scholarly article published 23 December 2018

The molecular basis of subtype selectivity of human kinin G-protein-coupled receptors

scientific article published on 15 January 2018

The unexpected structure of the designed protein Octarellin V.1 forms a challenge for protein structure prediction tools

scientific article

Therapeutic targeting of apoptotic pathways in cancer

scientific article published on October 2006

Three-dimensional spatial analysis of missense variants in RTEL1 identifies pathogenic variants in patients with Familial Interstitial Pneumonia.

scientific article published on 23 January 2018

Time-resolved live-cell spectroscopy reveals EphA2 multimeric assembly

scientific article published on 16 November 2023

Tip60 is a cell-type-specific transcriptional regulator

scientific article (publication date: April 2001)

Towards Ligand Docking Including Explicit Interface Water Molecules ⬇️

scientific article published on June 28, 2013

Towards the treatment of Alzheimer's disease: Discovery and development of novel subtype-specific M1 allosteric agonists

article

Transversal blurring in tomography (author's transl)

scientific article published on May 1, 1979

Tunneling dynamics of doped organic low-temperature glasses as probed by a photophysical hole-burning system

article

Unique gating properties of C. elegans ClC anion channel splice variants are determined by altered CBS domain conformation and the R-helix linker

scientific article published on 21 July 2010

Unwinding of the C-Terminal Residues of Neuropeptide Y is critical for Y₂ Receptor Binding and Activation

scientific article published on 29 April 2015

Upgraded molecular models of the human KCNQ1 potassium channel

scientific article published on 13 September 2019

Using RosettaLigand for small molecule docking into comparative models

scientific article

Using neural networks for (13)c NMR chemical shift prediction-comparison with traditional methods

scientific article published in August 2002

Using the natural evolution of a rotavirus-specific human monoclonal antibody to predict the complex topography of a viral antigenic site

scientific article published on 18 September 2007

Validation of Structural Proposals by Substructure Analysis and13C NMR Chemical Shift Prediction

scientific article published on 01 March 2002

Web-accessible molecular modeling with Rosetta: The Rosetta Online Server that Includes Everyone (ROSIE).

scientific article

Y95 and E444 interaction required for high-affinity S-citalopram binding in the human serotonin transporter

scientific article published on 27 October 2010

[Analysis of various factors of blurring with reference to total blurring in the roentgenogram.]

scientific article published on 01 January 1955

[Anode filtration and its contribution to the total inherent filtration of an x-ray tube]

scientific article published on 01 May 1987

[Automatic dose-rate control during linear tomography (author's transl)]

scientific article published on 01 December 1977

[Does an after-glow of luminescent material grant a smaller energy expenditure in a roentgenogram.]

scientific article published on 01 February 1959

[Effective prefilter and patient dosage]

scientific article published on 01 January 1986

[Effects of the focus volume and the amplifying foil on the quality of roentgenographs]

scientific article published on 01 August 1955

[Focus insufficiency of intensifying screens]

scientific article published on 01 June 1954

[Irreality of the tangential effect (author's transl)]

scientific article published on 01 March 1981

[MODIFICATIONS IN THE ROENTGENOLOGICAL APPARATUS AND TUBE VOLTAGE CURVES AND THEIR EFFECTS ON THE EXPOSURE TECHNIC.]

scientific article published on 01 November 1964

[Pre-filtration of an x-ray radiation source in 2-pulse operation]

scientific article published on 01 September 1987

[Roentgen radiation dosage using the 2-pulse technic]

scientific article published on 01 April 1988

[Triphase current generator and roentgen uptake technic]

scientific article published on 01 October 1966

[What effect do intensifying screens and general lack of resolution have on tomography?]

scientific article published on 01 January 1973

bcl::Cluster : A method for clustering biological molecules coupled with visualization in the Pymol Molecular Graphics System

scientific article

α2A- and α2C-Adrenoceptors as Potential Targets for Dopamine and Dopamine Receptor Ligands

scientific article published on 18 March 2018

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