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A Perspective on Quantum Mechanics Calculations in ADMET Predictions

Journal: Current Topics in Medicinal Chemistry
Volume: 13 Issue: 11 Year: 2013 Page: 1257-1272
Author(s): J. Phillip Bowen,Osman F. Guner

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

A Review of Monoamine Transporter-Ligand Interactions

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 4 Year: 2013 Page: 556-568
Author(s): Kalyan Immadisetty,Jeffry D. Madura

Discovering the Binding Modes of Natural Products with Histone Deacetylase 1

Journal: Medicinal Chemistry
Volume: 9 Issue: 1 Year: 2013 Page: 126-132
Author(s): Lei Zhang, Minyong Li, Lihui Zhang, Wenfang Xu

Computational Modeling of Environmentally Responsive Hydrogels (ERH) for Drug Delivery System

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 1 Year: 2013 Page: 76-82
Author(s): P.K. Krishnan Namboori,U.P. Ranjini,Asha A. Manakadan,Anila Jose,K.S. Silvipriya,N. Belzik,O.M. Deepak

Discovery of Novel Scaffolds for Rho Kinase 2 Inhibitor Through TRFRET- Based High Throughput Screening Assay

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 16 Issue: 1 Year: 2013 Page: 37-46
Author(s): Kwang-Seok Oh,Jihye Mun,Jae Eun Cho,Sunghou Lee,Kyu Yang Yi,Chae Jo Lim,Jin Soo Lee,Whui Jung Park,Byung Ho Lee

Effects of the Protonation State of the Catalytic Residues and Ligands Upon Binding and Recognition in Targeted Proteins of HIV-1 and Influenza Viruses

Journal: Current Pharmaceutical Design
Volume: 19 Issue: 2 Year: 2013 Page: 4276-4290
Author(s): Nadtanet Nunthaboot, Thanyada Rungrotmongkol, Ornjira Aruksakunwong, Supot Hannongbua

Resolving Differences in Substrate Specificities between Human and Parasite Phosphoribosyltransferases via Analysis of Functional Groups of Substrates and Receptors

Journal: Current Pharmaceutical Design
Volume: 19 Issue: 2 Year: 2013 Page: 4226-4240
Author(s): Zofia Gasik, David Shugar, Jan M. Antosiewicz

Scoring Functions for Prediction of Protein-Ligand Interactions

Journal: Current Pharmaceutical Design
Volume: 19 Issue: 12 Year: 2013 Page: 2174-2182
Author(s): Jui-Chih Wang,Jung-Hsin Lin

Pharmacophore Design, Virtual Screening, Molecular Docking and Optimization Approaches to Discover Potent Thrombin Inhibitors

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 16 Issue: 9 Year: 2013 Page: 702-720
Author(s): Chandrasekaran Loganathan, Sugunadevi Sakkiah, Keun Woo Lee, Senthamaraikannan Kabilan, Chandrasekaran Meganathan

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