Search Result "CHARMm"


Research Article

Inhibition of Product Template (PT) Domain of Aflatoxin Producing Polyketide Synthase Enzyme of Aspergillus parasiticus

Journal: Letters in Drug Design & Discovery
Volume: 14 Issue: 7 Year: 2017 Page: 811-818
Author(s): Maneesh Kumar, Sindhuprava Rana, Harish Kumar, Jainendra Kumar, Rani Mansuri, Ganesh Chandra Sahoo

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

Synthesis, Characterization, Anticancer and Antibacterial Activity of Some Novel Pyrano[2,3-d]pyrimidinone Carbonitrile Derivatives

Journal: Anti-Cancer Agents in Medicinal Chemistry
Volume: 17 Issue: 5 Year: 2017 Page: 719-725
Author(s): Oluwole S. Aremu,Kaalin Gopaul,Pramod Kadam,Moganavelli Singh,Chunderika Mocktar,Parvesh Singh,Neil A. Koorbanally

Review Article

A Practical Guide to Molecular Docking and Homology Modelling for Medicinal Chemists

Journal: Current Topics in Medicinal Chemistry
Volume: 17 Issue: 1 Year: 2017 Page: 2023-2040
Author(s): Anna E. Lohning, Stephan M. Levonis, Billy Williams-Noonan, Stephanie S. Schweiker

Review Article

Review of Proteinochromism Modeling in Computational Chemistry

Journal: Current Organic Chemistry
Volume: 21 Issue: 10 Year: 2017 Page: 856-871
Author(s): Tobias Schwabe

Review Article

Kinetics of Ligand Binding Through Advanced Computational Approaches: A Review

Journal: Current Topics in Medicinal Chemistry
Volume: 17 Issue: 23 Year: 2017 Page: 2626-2641
Author(s): Alex Dickson,Pratyush Tiwary,Harish Vashisth

Review Article

Recent Updates on Computer-aided Drug Discovery: Time for a Paradigm Shift

Journal: Current Topics in Medicinal Chemistry
Volume: 17 Issue: 3 Year: 2017 Page: 3296-3307
Author(s): Talambedu Usha,Dhivya Shanmugarajan,Arvind Kumar Goyal,Chinaga Suresh Kumar,Sushil Kumar Middha

Review Article

Can Ligands of Different Functional Types Induce Distinct Dynamics in G Protein-Coupled Receptors?

Journal: Current Topics in Medicinal Chemistry
Volume: 17 Issue: 21 Year: 2017 Page: 2370-2380
Author(s): Yu-Hsuan Chen,Jung-Hsin Lin

Review Article

Critical Role of Computer Simulations in Drug Discovery and Development

Journal: Current Topics in Medicinal Chemistry
Volume: 17 Issue: 21 Year: 2017 Page: 2422-2432
Author(s): Prachi Srivastava,Anshul Tiwari

Review Article

From Protein Structure to Small-Molecules: Recent Advances and Applications to Fragment-Based Drug Discovery

Journal: Current Topics in Medicinal Chemistry
Volume: 17 Issue: 20 Year: 2017 Page: 2260-2270
Author(s): Leonardo G. Ferreira,Adriano D. Andricopulo

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