Search Result "MM-GBSA"


Changing Paradigms in Drug Discovery: Scientific Business Intelligence™ and Workflow Solutions

Journal: Current Computer-Aided Drug Design
Volume: 4 Issue: 1 Year: 2008 Page: 13-22
Author(s): Shikha Varma-OBrien, Frank K. Brown, Andrew LeBeau, Robert D. Brown

Calculating the Protonation States of Proteins and Small Molecules: Implications to Ligand-Receptor Interactions

Journal: Current Computer-Aided Drug Design
Volume: 4 Issue: 3 Year: 2008 Page: 169-179
Author(s): Rooplekha Mitra, Radhey Shyam, Indranil Mitra, Maria A. Miteva, Emil Alexov

How to Efficiently Include Receptor Flexibility During Computational Docking

Journal: Current Computer-Aided Drug Design
Volume: 4 Issue: 2 Year: 2008 Page: 143-153
Author(s): Andreas May, Florian Sieker, Martin Zacharias

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