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List of works by Carsten Baldauf

A beta/gamma motif to mimic alpha-helical turns in proteins

scientific article published in February 2010

A new approach for flexible protein-ligand docking based on Particle Swarm Optimisation.

scientific article

A novel calcium-binding site of von Willebrand factor A2 domain regulates its cleavage by ADAMTS13

scientific article

A systematic study of fundamentals in α-helical coiled coil mimicry by alternating sequences of β- and γ-amino acids.

scientific article published on 3 June 2011

About Underappreciated Yet Active Conformations of Thiourea Organocatalysts.

scientific article published on 8 August 2017

Amide-to-ester substitution in coiled coils: the effect of removing hydrogen bonds on protein structure.

scientific article

An unusual interstrand H-bond stabilizes the heteroassembly of helical αβγ-chimeras with natural peptides

scientific article

Assessing the Accuracy of Across-the-Scale Methods for Predicting Carbohydrate Conformational Energies for the Examples of Glucose and α-Maltose.

scientific article published on 29 November 2016

Assessing the stability of alanine-based helices by conformer-selective IR spectroscopy

scientific article published on 11 July 2016

Autoregulation of von Willebrand factor function by a disulfide bond switch.

scientific article published on 28 February 2018

Balancing selectivity vs stability using molecular dynamics and umbrella sampling

scientific article published on 11 March 2014

Benchmarking polarizable and non-polarizable force fields for Ca2+-peptides against a comprehensive QM dataset

scientific article published on 01 October 2020

Coiled-coils in phage display screening: insight into exceptional selectivity provided by molecular dynamics.

scientific article published on 12 February 2015

Conformations of Prolyl-Peptide Bonds in the Bradykinin 1-5 Fragment in Solution and in the Gas Phase

scientific article published in July 2016

Control of helix formation in vinylogous gamma-peptides by (E)- and (Z)-double bonds: a way to ion channels and monomolecular nanotubes

scientific article published on 01 July 2005

Correction to About Underappreciated Yet Active Conformations of Thiourea Organocatalysts

scientific article published on 27 September 2017

Delta-peptides and delta-amino acids as tools for peptide structure design--a theoretical study

scientific article published on 01 September 2004

Exploring the conformational preferences of 20-residue peptides in isolation: Ac-Ala19-Lys + H(+)vs. Ac-Lys-Ala19 + H(+) and the current reach of DFT.

scientific article published in March 2015

FAIR Practices in Europe

First-Principles Molecular Structure Search with a Genetic Algorithm ⬇️

scientific article published on 20 October 2015

First-principles data set of 45,892 isolated and cation-coordinated conformers of 20 proteinogenic amino acids

scientific article

Force-sensitive autoinhibition of the von Willebrand factor is mediated by interdomain interactions

scientific article published on May 2015

Going clean: structure and dynamics of peptides in the gas phase and paths to solvation

scientific article

Helices in peptoids of alpha- and beta-peptides.

scientific article

Helix formation in alpha,gamma- and beta,gamma-hybrid peptides: theoretical insights into mimicry of alpha- and beta-peptides

scientific article published on 01 February 2006

How cations change peptide structure.

scientific article

How mono-valent cations bend peptide turns and a first-principles database of amino acids and dipeptides

Identification of the Key Residue of Calcitonin Gene Related Peptide (CGRP) 27−37 to Obtain Antagonists with Picomolar Affinity at the CGRP Receptor

article

Kinetically Trapped Liquid-State Conformers of a Sodiated Model Peptide Observed in the Gas Phase

scientific article

Mapping and classifying molecules from a high-throughput structural database.

scientific article published on 02 February 2017

Mixed helices--a general folding pattern in homologous peptides?

scientific article published in March 2004

Mutation G1629E Increases von Willebrand Factor Cleavage via a Cooperative Destabilization Mechanism.

scientific article published in January 2017

Mutual A domain interactions in the force sensing protein von Willebrand factor.

scientific article

NFDI4Chem - Towards a National Research Data Infrastructure for Chemistry in Germany

scientific article published on 26 June 2020

Native like helices in a specially designed β peptide in the gas phase

scientific article published on February 2015

On the Cis to Trans Isomerization of Prolyl–Peptide Bonds under Tension

scientific article published on 27 July 2012

ParaDockS: a framework for molecular docking with population-based metaheuristics

scientific article

Photodissociation of conformer-selected ubiquitin ions reveals site-specific cis/trans isomerization of proline peptide bonds

scientific article

Probing chirality recognition of protonated glutamic acid dimers by gas-phase vibrational spectroscopy and first-principles simulations

scientific article published on 01 November 2018

Shear-induced unfolding activates von Willebrand factor A2 domain for proteolysis

scientific article published on 08 October 2009

Side-chain control of folding of the homologous alpha-, beta-, and gamma-peptides into "mixed" helices (beta-helices)

scientific article published on 01 January 2005

Single molecule force spectroscopy data and BD- and MD simulations on the blood protein von Willebrand factor

scientific article

Stable hairpins with beta-peptides: route to tackle protein-protein interactions

scientific article published on 30 May 2008

Structure and Reactivity of Al-O(H)-Al Moieties in Siloxide Frameworks - Solution and Gas phase Model Studies

scientific article published on 17 December 2018

Synthesis and structure of alpha/delta-hybrid peptides--access to novel helix patterns in foldamers.

scientific article

The SQM/COSMO filter: reliable native pose identification based on the quantum-mechanical description of protein-ligand interactions and implicit COSMO solvation

scientific article published on 29 January 2016

The Structure of the Protonated Serine Octamer

scientific article published on 11 April 2018

Theoretical prediction of the basic helix types in alpha,beta-hybrid peptides

scientific article published on 01 January 2006

von Willebrand disease type 2A phenotypes IIC, IID and IIE: A day in the life of shear-stressed mutant von Willebrand factor

scientific article published on 06 March 2014

von Willebrand factor directly interacts with DNA from neutrophil extracellular traps.

scientific article published in May 2014

von Willebrand factor is dimerized by protein disulfide isomerase

scientific article

β- and γ-Amino Acids at α-Helical Interfaces: Toward the Formation of Highly Stable Foldameric Coiled Coils

scientific article published on 28 October 2014

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