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List of works by Nathalie Reuter

A Role for Weak Electrostatic Interactions in Peripheral Membrane Protein Binding

scientific article published on March 2016

A dynamic model of long-range conformational adaptations triggered by nucleotide binding in GroEL-GroES.

scientific article published on 6 July 2012

Biochemical and cellular analysis of Ogden syndrome reveals downstream Nt-acetylation defects

scientific article

Calibration of the Quantum/Classical Hamiltonian in Semiempirical QM/MM AM1 and PM3 Methods

scientific article published in November 2000

Capturing Choline-Aromatics Cation-π Interactions in the MARTINI Force Field

scientific article published on 09 March 2020

Cation-π Interactions between Methylated Ammonium Groups and Tryptophan in the CHARMM36 Additive Force Field

scientific article published on 28 December 2018

Cation-π interactions as lipid-specific anchors for phosphatidylinositol-specific phospholipase C

scientific article published on 08 April 2013

Challenges in pKa predictions for proteins: the case of Asp213 in human proteinase 3.

scientific article published in October 2009

Classification and phylogeny for the annotation of novel eukaryotic GNAT acetyltransferases

scientific article published on 23 December 2020

Cleavage of p21/WAF1/CIP1 by proteinase 3 modulates differentiation of a monocytic cell line. Molecular analysis of the cleavage site.

scientific article

Comparing aminoglycoside binding sites in bacterial ribosomal RNA and aminoglycoside modifying enzymes

scientific article

Comparing the intrinsic dynamics of multiple protein structures using elastic network models.

scientific article

Conformational sampling and nucleotide-dependent transitions of the GroEL subunit probed by unbiased molecular dynamics simulations

scientific article

Conservation of intrinsic dynamics in proteins-what have computational models taught us?

scientific article

Differences in the substrate binding sites of murine and human proteinase 3 and neutrophil elastase

scientific article published in 2007

Dissecting peripheral protein-membrane interfaces

scientific article published in 2022

Does changing the predicted dynamics of a phospholipase C alter activity and membrane binding?

scientific article published on 8 January 2013

Dynamics, Flexibility and Ligand-Induced Conformational Changes in Biological Macromolecules: A Computational Approach ⬇️

scientific article published on December 1, 2011

Evaluation of Protein Elastic Network Models Based on an Analysis of Collective Motions

scientific article published on 21 November 2013

Evolution of oligomeric state through allosteric pathways that mimic ligand binding

scientific article

Exploring the factors determining the dynamics of different protein folds

scientific article

Frontier Bonds in QM/MM Methods: A Comparison of Different Approaches

Green Fluorescent Proteins: Empirical Force Field for the Neutral and Deprotonated Forms of the Chromophore. Molecular Dynamics Simulations of the Wild Type and S65T Mutant

article

How does proteinase 3 interact with lipid bilayers?

scientific article published on 9 June 2010

Improving the Force Field Description of Tyrosine-Choline Cation-π Interactions: QM Investigation of Phenol-N(Me)4+ Interactions

scientific article published on 28 September 2016

In Silico Design, Synthesis, and Assays of Specific Substrates for Proteinase 3: Influence of Fluorogenic and Charged Groups

scientific article published on 21 January 2014

Influence of Charge Distribution at the Active Site Surface on the Substrate Specificity of Human Neutrophil Protease 3 and Elastase

scientific article published in Journal of Biological Chemistry

Interactions stabilizing the C-terminal helix of human phospholipid scramblase 1 in lipid bilayers: A computational study.

scientific article

Interfacial Aromatics Mediating Cation-π Interactions with Choline-Containing Lipids Can Contribute as Much to Peripheral Protein Affinity for Membranes as Aromatics Inserted below the Phosphates

scientific article published on 03 July 2019

Measuring and comparing structural fluctuation patterns in large protein datasets.

scientific article published on 12 July 2012

Membrane Docking of the Synaptotagmin 7 C2A Domain: Computation Reveals Interplay between Electrostatic and Hydrophobic Contributions.

scientific article published on 2 September 2015

Modeling enzyme-inhibitor interactions in serine proteases

Molecular determinants of the N-terminal acetyltransferase Naa60 anchoring to the Golgi membrane.

scientific article published on 14 February 2017

Molecular dynamics simulations of mixed acidic/zwitterionic phospholipid bilayers.

scientific article

Normal mode-based fitting of atomic structure into electron density maps: application to sarcoplasmic reticulum Ca-ATPase

scientific article

Nuclear-to-cytoplasmic relocalization of the proliferating cell nuclear antigen (PCNA) during differentiation involves a chromosome region maintenance 1 (CRM1)-dependent export and is a prerequisite for PCNA antiapoptotic activity in mature neutroph

scientific article published on 30 July 2012

Orexins and their receptors: structural aspects and role in peripheral tissues.

scientific article

Proliferating cell nuclear antigen acts as a cytoplasmic platform controlling human neutrophil survival ⬇️

scientific article

Proteinase 3 Is a Phosphatidylserine-binding Protein That Affects the Production and Function of Microvesicles

scientific article published on 09 March 2016

Quantifying transient interactions between Bacillus phosphatidylinositol-specific phospholipase-C and phosphatidylcholine-rich vesicles.

scientific article published on 23 December 2014

Reversible Ketomethylene-Based Inhibitors of Human Neutrophil Proteinase 3

article

Search and Subvert: Minimalist Bacterial Phosphatidylinositol-Specific Phospholipase C Enzymes

Similarity in Shape Dictates Signature Intrinsic Dynamics Despite No Functional Conservation in TIM Barrel Enzymes.

scientific article

Specificity and versatility of substrate binding sites in four catalytic domains of human N-terminal acetyltransferases

scientific article

Specificity of Loxosceles α clade phospholipase D enzymes for choline-containing lipids: Role of a conserved aromatic cage

scientific article published on 18 February 2022

Structures of human proteinase 3 and neutrophil elastase--so similar yet so different

scientific article

TMM@: a web application for the analysis of transmembrane helix mobility

scientific article

The Arabidopsis (ASHH2) CW domain binds monomethylated K4 of the histone H3 tail through conformational selection

scientific article published on 21 February 2020

The elusive oxidant species of cytochrome P450 enzymes: characterization by combined quantum mechanical/molecular mechanical (QM/MM) calculations

scientific article published in July 2002

The search for a new model structure of beta-factor XIIa

scientific article published on 01 April 2001

Transconformations of the SERCA1 Ca-ATPase: A Normal Mode Study ⬇️

scientific article published on October 1, 2003

Two homologous neutrophil serine proteases bind to POPC vesicles with different affinities: When aromatic amino acids matter

scientific article published on 16 September 2014

Two-level approach to efficient visualization of protein dynamics

scientific article published in November 2007

Visual cavity analysis in molecular simulations.

scientific article

WEBnm@ v2.0: Web server and services for comparing protein flexibility

scientific article

WEBnm@: a web application for normal mode analyses of proteins

scientific article

d-Peptides as inhibitors of PR3-membrane interactions.

scientific article published on 10 November 2017

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