Search Result "CHARMm"


Molecular Modeling Studies of the Conserved B12-Binding Motif and Its Variants from Clostridium tetanomorphum Glutamate Mutase

Journal: Protein & Peptide Letters
Volume: 17 Issue: 6 Year: 2010 Page: 759-764
Author(s): Chun-Hua Hsu, Hao-Ping Chen

In Silico Drug Discovery Approaches on Grid Computing Infrastructures

Journal: Current Clinical Pharmacology
Volume: 5 Issue: 1 Year: 2010 Page: 37-46
Author(s): Antje Wolf, Mohammad Shahid, Vinod Kasam, Wolfgang Ziegler, Martin Hofmann-Apitius

Effects of Cisplatin Binding to DNA on the Dynamics of the E. coli MutS Dimer

Journal: Protein & Peptide Letters
Volume: 17 Issue: 6 Year: 2010 Page: 744-750
Author(s): Freddie R. Salsbury Jr.

Kinetics and Docking Studies of a COX-2 Inhibitor Isolated from Terminalia bellerica Fruits

Journal: Protein & Peptide Letters
Volume: 17 Issue: 1 Year: 2010 Page: 1251-1257
Author(s): Tamatam Chandramohan Reddy, Polamarasetty Aparoy, Neela Kishore Babu, Kotha Anil Kumar, Suresh Kumar Kalangi, Pallu Reddanna

G Protein Coupled Receptors - In Silico Drug Discovery and Design

Journal: Current Topics in Medicinal Chemistry
Volume: 10 Issue: 6 Year: 2010 Page: 638-656
Author(s): I. Sela, G. Golan, M. Strajbl, D. Rivenzon-Segal, S. Bar-Haim, I. Bloch, B. Inbal, A. Shitrit, E. Ben-Zeev, M. Fichman, Y. Markus, Y. Marantz, H. Senderowitz, O. Kalid

Emerging Methods for Ensemble-Based Virtual Screening

Journal: Current Topics in Medicinal Chemistry
Volume: 10 Issue: 1 Year: 2010 Page: 3-13
Author(s): Rommie E. Amaro, Wilfred W. Li

In Silico Techniques for the Identification of Bioisosteric Replacements for Drug Design

Journal: Current Topics in Medicinal Chemistry
Volume: 10 Issue: 6 Year: 2010 Page: 657-668
Author(s): Mike Devereux, Paul L.A. Popelier

Quantum Mechanical Methods for Drug Design

Journal: Current Topics in Medicinal Chemistry
Volume: 10 Issue: 1 Year: 2010 Page: 33-45
Author(s): Ting Zhou, Danzhi Huang, Amedeo Caflisch

Investigation of 2-Fluoro Benzoic Acid Derivatives as Influenza A Viral Sialidase Selective Inhibitors

Journal: Anti-Infective Agents in Medicinal Chemistry
Volume: 9 Issue: 4 Year: 2010 Page: 198-204
Author(s): Sadagopan Magesh, Nongluk Sriwilaijaroen, Vats Savita, Hiromune Ando, Taeko Miyagi, Yasuo Suzuki, Hideharu Ishida, Makoto Kiso

3D Pharmacophore Based Virtual Screening of A2A Adenosine Receptor Antagonists

Journal: Protein & Peptide Letters
Volume: 17 Issue: 3 Year: 2010 Page: 332-339
Author(s): Jing Wei, Wanlu Qu, Yingda Ye, Qingzhi Gao

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