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Dihedral angles

Incorporation of Noncanonical Amino Acids into Rosetta and Use in Computational Protein-Peptide Interface Design

P. Douglas Renfrew, Eun Jung Choi, Richard Bonneau, Brian Kuhlman

Mechanisms of Loss of Functions of Human Angiogenin Variants Implicated in Amyotrophic Lateral Sclerosis

Aditya K. Padhi, Hirdesh Kumar, [ ... ], James Gomes

In silico Analysis of Conformational Changes Induced by Mutation of Aromatic Binding Residues: Consequences for Drug Binding in the hERG K+ Channel

Kirsten Knape, Tobias Linder, [ ... ], Anna Stary-Weinzinger

NMR Studies of the C-Terminus of alpha4 Reveal Possible Mechanism of Its Interaction with MID1 and Protein Phosphatase 2A

Haijuan Du, Michael A. Massiah

Peptide Bond Distortions from Planarity: New Insights from Quantum Mechanical Calculations and Peptide/Protein Crystal Structures

Roberto Improta, Luigi Vitagliano, Luciana Esposito

An Exact Expression to Calculate the Derivatives of Position-Dependent Observables in Molecular Simulations with Flexible Constraints

Pablo Echenique, Claudio N. Cavasotto, [ ... ], J.L. Alonso

Assignment of PolyProline II Conformation and Analysis of Sequence – Structure Relationship

Yohann Mansiaux, Agnel Praveen Joseph, Jean-Christophe Gelly, Alexandre G. de Brevern

NetTurnP – Neural Network Prediction of Beta-turns by Use of Evolutionary Information and Predicted Protein Sequence Features

Bent Petersen, Claus Lundegaard, Thomas Nordahl Petersen

Going beyond Clustering in MD Trajectory Analysis: An Application to Villin Headpiece Folding

Aruna Rajan, Peter L. Freddolino, Klaus Schulten

ANGLOR: A Composite Machine-Learning Algorithm for Protein Backbone Torsion Angle Prediction

Sitao Wu, Yang Zhang

High-Resolution 3D Structure Determination of Kaliotoxin by Solid-State NMR Spectroscopy

Jegannath Korukottu, Robert Schneider, [ ... ], Markus Zweckstetter

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