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Molecular structure

Structure of HI-6•Sarin-Acetylcholinesterase Determined by X-Ray Crystallography and Molecular Dynamics Simulation: Reactivator Mechanism and Design

Fredrik Ekström, Andreas Hörnberg, [ ... ], Yuan-Ping Pang

N- and C-Terminal Domains of the Calcium Binding Protein EhCaBP1 of the Parasite Entamoeba histolytica Display Distinct Functions

Ruchi Jain, Shivesh Kumar, [ ... ], Alok Bhattacharya

An Estimate of the Numbers and Density of Low-Energy Structures (or Decoys) in the Conformational Landscape of Proteins

Kanagasabai Vadivel, Gautham Namasivayam

FitEM2EM—Tools for Low Resolution Study of Macromolecular Assembly and Dynamics

Ziv Frankenstein, Joseph Sperling, Ruth Sperling, Miriam Eisenstein

Inhibition of α-Synuclein Fibrillization by Dopamine Is Mediated by Interactions with Five C-Terminal Residues and with E83 in the NAC Region

Fernando E. Herrera, Alessandra Chesi, [ ... ], Paolo Carloni

Entropy Bounds for Hierarchical Molecular Networks

Matthias Dehmer, Stephan Borgert, Frank Emmert-Streib

Evolutionary Patterns in the Sequence and Structure of Transfer RNA: A Window into Early Translation and the Genetic Code

Feng-Jie Sun, Gustavo Caetano-Anollés

Quantitative Multicolor Compositional Imaging Resolves Molecular Domains in Cell-Matrix Adhesions

Eli Zamir, Benjamin Geiger, Zvi Kam

C-ME: A 3D Community-Based, Real-Time Collaboration Tool for Scientific Research and Training

Anand Kolatkar, Kevin Kennedy, [ ... ], Peter Kuhn

Normal-Mode-Analysis–Monitored Energy Minimization Procedure for Generating Small–Molecule Bound Conformations

Qi Wang, Yuan-Ping Pang

Computer-Aided Lead Optimization: Improved Small-Molecule Inhibitor of the Zinc Endopeptidase of Botulinum Neurotoxin Serotype A

Jing Tang, Jewn Giew Park, [ ... ], Yuan-Ping Pang

Accurate Reproduction of 161 Small-Molecule Complex Crystal Structures using the EUDOC Program: Expanding the Use of EUDOC to Supramolecular Chemistry

Qi Wang, Yuan-Ping Pang

Conformational Proofreading: The Impact of Conformational Changes on the Specificity of Molecular Recognition

Yonatan Savir, Tsvi Tlusty

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