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Malleability and Versatility of Cytochrome P450 Active Sites Studied by Molecular Simulations

Journal: Current Drug Metabolism
Volume: 13 Issue: 2 Year: 2012 Page: 190-196
Author(s): Chris Oostenbrink, Anita de Ruiter, Jozef Hritz, Nico Vermeulen

Target Prediction of Small Molecules with Information of Key Molecular Interactions

Journal: Current Topics in Medicinal Chemistry
Volume: 12 Issue: 17 Year: 2012 Page: 1903-1910
Author(s): Jung-Hsin Lin

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

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

Protein-protein Docking and Hot-spot Prediction for Drug Discovery

Journal: Current Pharmaceutical Design
Volume: 18 Issue: 30 Year: 2012 Page: 4607-4618
Author(s): Solene Grosdidier,Juan Fernandez-Recio

Introduction to Molecular Topology: Basic Concepts and Application to Drug Design

Journal: Current Computer-Aided Drug Design
Volume: 8 Issue: 3 Year: 2012 Page: 196-223
Author(s): Jorge Galvez,Maria Galvez-Llompart,Ramon Garcia-Domenech

Structure-Based Analysis of the Molecular Recognitions Between HIV-1 TAR-RNA and Transcription Factor Nuclear Factor-kappaB (NFkB)

Journal: Current Topics in Medicinal Chemistry
Volume: 12 Issue: 8 Year: 2012 Page: 814-827
Author(s): Mahmud Tareq Hassan Khan,Carlo Mischiati,Arjumand Ather,Tatsuya Ohyama,Kenichi Dedachi,Monica Borgatti,Noriyuki Kurita,Roberto Gambari

Synthesis, Characterization, Biological Evaluation and Docking of Coumarin Coupled Thiazolidinedione Derivatives and its Bioisosteres as PPARγ Agonists

Journal: Medicinal Chemistry
Volume: 8 Issue: 5 Year: 2012 Page: 834-845
Author(s): Shubhanjali Shukla,Pankaj Kumar,Nirupam Das,N.S. Hari Narayana Moorthy,Sushant Kumar Shrivastava,Piyush Trivedi,Radhey Shyam Srivastava

The Efficacy of Conceptual DFT Descriptors and Docking Scores on the QSAR Models of HIV Protease Inhibitors

Journal: Medicinal Chemistry
Volume: 8 Issue: 5 Year: 2012 Page: 811-825
Author(s): Hemant Kumar Srivastava,Chinmayee Choudhury,G. Narahari Sastry

Ligand- and Protein-Based Modeling Studies of the Inhibitors of Human Cytochrome P450 2D6 and a Virtual Screening for Potential Inhibitors from the Chinese Herbal Medicine, Scutellaria baicalensis (Huangqin,Baikal Skullcap)

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 15 Issue: 1 Year: 2012 Page: 36-80
Author(s): Sui-Lin Mo, Wei-Feng Liu, Yuling Chen, Hai-Bin Luo, Lai-Bao Sun, Xiao-Wu Chen, Zhi-Wei Zhou, Kevin B. Sneed, Chun Guang Li, Yao-Min Du, Jun Liang, Shu-Feng Zhou

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