Search Result "CHARMm"


Structure Prediction of Neuroendocrine Convertase -2: A Potential Target in Various Cancers

Journal: Protein & Peptide Letters
Volume: 16 Issue: 4 Year: 2009 Page: 383-391
Author(s): Polamarasetty Aparoy, Munmun Chatterjee, Lalitha Guruprasad, Pallu Reddanna

Molecular Mechanics Force Fields and their Applications in Drug Design

Journal: Anti-Infective Agents in Medicinal Chemistry
Volume: 8 Issue: 2 Year: 2009 Page: 128-150
Author(s): Raghuvir R.S. Pissurlenkar, Mushtaque S. Shaikh, Radhakrishnan P. Iyer, Evans C. Coutinho

Conformational Sampling and Energetics of Drug-Like Molecules

Journal: Current Medicinal Chemistry
Volume: 16 Issue: 2 Year: 2009 Page: 3381-3413
Author(s): Nicolas Foloppe, I-Jen Chen

Basis for Resistance to Imatinib in 16 BCR-ABL Mutants as Determined Using Molecular Dynamics

Journal: Recent Patents on Anti-Cancer Drug Discovery
Volume: 4 Issue: 2 Year: 2009 Page: 164-173
Author(s): Tai-Sung Lee, Steven J. Potts, Maher Albitar

G Protein-Coupled Receptors: Target-Based In Silico Screening

Journal: Current Pharmaceutical Design
Volume: 15 Issue: 3 Year: 2009 Page: 4049-4068
Author(s): Hanoch Senderowitz, Yael Marantz

3D-Pharmacophere Models for CC Chemokine Receptor 1 Antagonists

Journal: Medicinal Chemistry
Volume: 5 Issue: 4 Year: 2009 Page: 318-324
Author(s): Yixi Liu, Philippe Andre, Jing Wei, Kang Zhao

Spermine Metabolism and Anticancer Therapy

Journal: Current Cancer Drug Targets
Volume: 9 Issue: 2 Year: 2009 Page: 118-130
Author(s): R. Amendola, M. Cervelli, E. Fratini, F. Polticelli, D. E. Sallustio, P. Mariottini

Quality Assessment of Protein Structure Models

Journal: Current Protein & Peptide Science
Volume: 10 Issue: 3 Year: 2009 Page: 216-228
Author(s): Daisuke Kihara, Hao Chen, Yifeng David Yang

Molecular Dynamics as a Tool in Rational Drug Design: Current Status and Some Major Applications

Journal: Current Computer-Aided Drug Design
Volume: 5 Issue: 4 Year: 2009 Page: 225-240
Author(s): Roberta Galeazzi

Molecular Dynamics Simulations of Intrinsically Disordered Proteins in Human Diseases

Journal: Current Computer-Aided Drug Design
Volume: 5 Issue: 4 Year: 2009 Page: 280-287
Author(s): Jihua Wang, Zanxia Cao, Shuqiang Li

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