Search Result "CHARMm"

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.

Simulation Modeling of Supported Lipid Membranes – A Review

Journal: Current Topics in Medicinal Chemistry
Volume: 14 Issue: 5 Year: 2014 Page: 617-623
Author(s): Michael Hirtz,Naresh Kumar,Lifeng Chi

Molecular Modeling and Simulation of Membrane Lipid-Mediated Effects on GPCRs

Journal: Current Medicinal Chemistry
Volume: 20 Issue: 1 Year: 2013 Page: 22-38
Author(s): S.K. Sadiq,R. Guixa-Gonzalez,E. Dainese,M. Pastor,G. De Fabritiis,J. Selent

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

Accounting for Induced-Fit Effects in Docking: What is Possible and What is Not?

Journal: Current Topics in Medicinal Chemistry
Volume: 11 Issue: 2 Year: 2011 Page: 179-191
Author(s): Christoph A. Sotriffer

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

Efficient Isothermal Titration Calorimetry Technique Identifies Direct Interaction of Small Molecule Inhibitors with the Target Protein

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 19 Issue: 1 Year: 2016 Page: 4-13
Author(s): Maayan Gal,Itai Bloch,Nelia Shechter,Olga Romanenko,Ofer M. Shir

Screening and Identification of Inhibitors Against Glutathione Synthetase, A Potential Drug Target of Plasmodium falciparum

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 18 Issue: 5 Year: 2015 Page: 492-504
Author(s): Yellapu Nanda Kumar,Gopal Jeyakodi,Ramamoorthy Thulasibabu,Kasinathan Gunasekaran,Purushothaman Jambulingam

Molecular Modeling Studies of the Conserved B12-Binding Motif and Its Variants from Clostridium tetanomorphum Glutamate Mutase

Journal: Protein & Peptide Letters
Volume: 17 Issue: 6 Year: 2010 Page: 759-764
Author(s): Chun-Hua Hsu, Hao-Ping Chen

open access plus

Sodium-Assisted Formation of Binding and Traverse Conformations of the Substrate in a Neurotransmitter Sodium Symporter Model

Journal: Current Drug Discovery Technologies
Volume: 11 Issue: 3 Year: 2014 Page: 227-233
Author(s): Agnes Simon,Akos Bencsura,Laszlo Heja,Csaba Magyar,Julianna Kardos

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