Search Result "electrostatic component of binding free energy."


Ca2+ Binding Effects on the C2 Domain Conformation of Human Cytosolic Phospholipase A2

Journal: Protein & Peptide Letters
Volume: 13 Issue: 1 Year: 2006 Page: 91-94
Author(s): B. Tan, S.- B. Qin, M.- E. Chen, H.- X. Cang, H.- J. Zhang

Theoretical Analysis and Computational Predictions of Protein Thermostability

Journal: Current Bioinformatics
Volume: 1 Issue: 1 Year: 2006 Page: 25-32
Author(s): Angel Mozo-Villiarias, Enrique Querol

Acetylcholinesterase: Molecular Modeling with the Whole Toolkit

Journal: Current Topics in Medicinal Chemistry
Volume: 6 Issue: 1 Year: 2006 Page: 57-73
Author(s): Gerald H. Lushington, Jian-Xin Guo, Margaret M. Hurley

Development, Validation, and Applications of Anisotropic Polarizable Molecular Mechanics to Study Ligand and Drug-Receptor Interactions

Journal: Current Pharmaceutical Design
Volume: 12 Issue: 1 Year: 2006 Page: 2121-2158
Author(s): Nohad Gresh

Targeting Cancer: The Challenges and Successes of Structure-Based Drug Design Against the Human Purinome

Journal: Current Topics in Medicinal Chemistry
Volume: 6 Issue: 1 Year: 2006 Page: 1129-1159
Author(s): Mark Knapp, Cornelia Bellamacina, Jeremy M. Murray, Dirksen E. Bussiere

A First QSAR Model for Galectin-3 Glycomimetic Inhibitors Based on 3D Docked Structures

Journal: Medicinal Chemistry
Volume: 2 Issue: 5 Year: 2006 Page: 481-489
Author(s): Suzanne Sirois, Denis Giguere, Rene Roy

Chondroitin Sulphate: Antioxidant Properties and Beneficial Effects

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 6 Issue: 1 Year: 2006 Page: 1311-1320
Author(s): G. M. Campo, A. Avenoso, S. Campo, A. M. Ferlazzo, A. Calatroni

Theoretical Studies on the Ring Opening of β-lactams: Processes in Solution and in Enzymatic Media

Journal: Current Organic Chemistry
Volume: 10 Issue: 7 Year: 2006 Page: 805-821
Author(s): R. Lopez, M. I. Menendez, N. Diaz, D. Suarez, P. Campomanes, D. Ardura, T. L. Sordo

Assault on Resistance: The Use of Computational Chemistry in the Development of Anti-HIV Drugs

Journal: Current Pharmaceutical Design
Volume: 12 Issue: 1 Year: 2006 Page: 1843-1856
Author(s): Marilyn B.K. Smith, Richard H. Smith, Jr., William L. Jorgensen

Organophosphorus Supramolecular Chemistry Part 1. Receptors for Organophosphorus Compounds

Journal: Current Organic Chemistry
Volume: 10 Issue: 1 Year: 2006 Page: 2285-2306
Author(s): Lukasz Berlicki, Ewa Rudziska, Piotr Mlynarza, Pawel Kafarski

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