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

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

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

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

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

QM/MM Modelling of Drug-Metabolizing Enzymes

Journal: Current Topics in Medicinal Chemistry
Volume: 14 Issue: 11 Year: 2014 Page: 1339-1347
Author(s): Richard Lonsdale,Adrian J. Mulholland

Research Article

Design-Based Peptidomimetic Ligand Discovery to Target HIV TAR RNA Using Comparative Analysis of Different Docking Methods

Journal: Current HIV Research
Volume: 14 Issue: 6 Year: 2016 Page: 476-483
Author(s): Junjie Fu,Amy Xia,Yao Dai,Xin Qi

Research Article

Identification of a Chemical Inhibitor with a Novel Scaffold TargetingDecaprenylphosphoryl-β-D-Ribose Oxidase (DprE1)

Journal: Infectious Disorders - Drug Targets
Volume: 23 Issue: 5 Year: 2023 Page: 24-30
Author(s):

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