Search Result "CHARMm force field"


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

Biomolecular Simulations of Metalloenzymes: Strategies to Tackle the Missing Parameter Problem

Journal: Current Inorganic Chemistry (Discontinued)
Volume: 2 Issue: 3 Year: 2012 Page: 254-262
Author(s): Alexandra T.P. Carvalho

Molecular Mechanics

Journal: Current Pharmaceutical Design
Volume: 20 Issue: 20 Year: 2014 Page: 3281-3292
Author(s): Kenno Vanommeslaeghe,Olgun Guvench,Alexander D. MacKerell Jr.

Review Article

Molecular Dynamics Simulations, Challenges and Opportunities: A Biologist’s Prospective

Journal: Current Protein & Peptide Science
Volume: 18 Issue: 11 Year: 2017 Page: 1163-1179
Author(s): Indu Kumari,Padmani Sandhu,Mushtaq Ahmed,Yusuf Akhter

Research Article

Study of Interactions of Nucleoside Anticancer Drugs, Capecitabine andGemcitabine, with SWNT and BNNT using Molecular and QuantumMechanical Calculations

Journal: Letters in Organic Chemistry
Volume: 21 Issue: 3 Year: 2024 Page: 238-254
Author(s):

Structure Simulations of Solutions with Small Organic Solutes at Ambient Temperature and pH =7

Journal: Current Physical Chemistry
Volume: 4 Issue: 4 Year: 2014 Page: 330-392
Author(s): Peter I. Nagy

Recent Trends in Carbohydrate Modeling

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 3 Issue: 7 Year: 2003 Page: 713-717
Author(s): Jane Dannow Dyekjaer, Kjeld Rasmussen

Molecular Field Analysis (MFA) and Other QSAR Techniques in Development of Phosphatase Inhibitors

Journal: Anti-Cancer Agents in Medicinal Chemistry
Volume: 11 Issue: 1 Year: 2011 Page: 151-163
Author(s): Pramod C. Nair

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 Interactions, Hydration and Solvation Structure in Osmolyte Solutions: Lysozyme in Free Amino Acids Solutions

Journal: Current Physical Chemistry
Volume: 4 Issue: 2 Year: 2014 Page: 202-215
Author(s): Abdoul Rahim,K. J. Jalkanen

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