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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, Elisabet Artursson, Lars-Gunnar Hammarström, Gunter Schneider, Yuan-Ping Pang

published 18 Jun 2009

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

Ruchi Jain, Shivesh Kumar, Samudrala Gourinath, Sudha Bhattacharya, Alok Bhattacharya

published 22 Apr 2009

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

Kanagasabai Vadivel, Gautham Namasivayam

published 09 Apr 2009

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

Ziv Frankenstein, Joseph Sperling, Ruth Sperling, Miriam Eisenstein

published 31 Oct 2008

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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, Katerina E. Paleologou, Adrian Schmid, Adriana Munoz, Michele Vendruscolo, Stefano Gustincich, Hilal A. Lashuel, Paolo Carloni

published 14 Oct 2008

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Entropy Bounds for Hierarchical Molecular Networks

Matthias Dehmer, Stephan Borgert, Frank Emmert-Streib

published 28 Aug 2008

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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

published 30 Jul 2008

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

Eli Zamir, Benjamin Geiger, Zvi Kam

published 02 Apr 2008

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

Anand Kolatkar, Kevin Kennedy, Dan Halabuk, Josh Kunken, Dena Marrinucci, Kelly Bethel, Rodney Guzman, Tim Huckaby, Peter Kuhn

published 20 Feb 2008

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

Qi Wang, Yuan-Ping Pang

published 10 Oct 2007

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

Jing Tang, Jewn Giew Park, Charles B. Millard, James J. Schmidt, Yuan-Ping Pang

published 22 Aug 2007

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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

published 13 Jun 2007

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

Yonatan Savir, Tsvi Tlusty

published 23 May 2007

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