Search Result "MM-PBSA"


A Comparative Study of Drug Resistance Mechanism Associated with Active Site and Non-Active Site Mutations: I388N and D425G Mutants of Acetyl-Coenzyme-A Carboxylase

Journal: Current Computer-Aided Drug Design
Volume: 8 Issue: 1 Year: 2012 Page: 62-69
Author(s): Xiao-Lei Zhu, Guang-Fu Yang

Molecular Dynamics of Protein Kinase-Inhibitor Complexes: A Valid Structural Information

Journal: Current Pharmaceutical Design
Volume: 18 Issue: 20 Year: 2012 Page: 2946-2963
Author(s): Julio Caballero,Jans H. Alzate-Morales

Steered Molecular Dynamics-A Promising Tool for Drug Design

Journal: Current Bioinformatics
Volume: 7 Issue: 4 Year: 2012 Page: 342-351
Author(s): Mai Suan Li,Binh Khanh Mai

Computer-Aided Drug Design: Lead Discovery and Optimization

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 15 Issue: 4 Year: 2012 Page: 328-337
Author(s): Mingli Xiang, Yu Cao, Wenjie Fan, Lijuan Chen, Yirong Mo

Recent Progress in Molecular Dynamics Simulations of Dihydrofolate Reductase

Journal: Current Enzyme Inhibition
Volume: 8 Issue: 2 Year: 2012 Page: 140-149
Author(s): John E. Kerrigan,Emine Ercikan Abali,Joseph R. Bertino

The Binding Mode of Fusion Inhibitor T20 onto HIV-1 gp41 and Relevant T20-Resistant Mechanisms Explored by Computational Study

Journal: Current HIV Research
Volume: 10 Issue: 2 Year: 2012 Page: 182-194
Author(s): Su Qiu,Hong Yi,Jun Hu,Zhijian Cao,Yingliang Wu,Wenxin Li

Homology Modeling and Antagonist Binding Site Study of the Human Histamine H2 Receptor

Journal: Medicinal Chemistry
Volume: 8 Issue: 6 Year: 2012 Page: 1084-1092
Author(s): Jing Zhang, Tao Qi, Jing Wei

Development of Anti-HIV Activity Models of Lysine Sulfonamide Analogs: A QSAR Perspective

Journal: Current Computer-Aided Drug Design
Volume: 8 Issue: 1 Year: 2012 Page: 70-82
Author(s): Rajagopalan Muthukumaran, Balasubramanian Sangeetha, Ramaswamy Amutha, Premendu P. Mathur

Computer-Aided Drug Design Methodologies Toward the Design of Anti-Hepatitis C Agents

Journal: Current Topics in Medicinal Chemistry
Volume: 12 Issue: 8 Year: 2012 Page: 802-813
Author(s): Alejandro Speck-Planche,M. Natalia D. S. Cordeiro

Exploring Protein-Protein and Protein-Ligand Interactions in the Immune System using Molecular Dynamics and Continuum Electrostatics

Journal: Current Physical Chemistry
Volume: 2 Issue: 4 Year: 2012 Page: 324-343
Author(s): Chris A. Kieslich,Phanourios Tamamis,Ronald D. Gorham Jr.,Aliana Lopez de Victoria,Noriko U. Sausman,Georgios Archontis,Dimitrios Morikis

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