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Molecular structure

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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Calculation of the Free Energy and Cooperativity of Protein Folding

Alex Kentsis, Tatyana Gindin, Mihaly Mezei, Roman Osman

published 16 May 2007

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