Search Result "molecular superposition"

Molecular Shape Technologies in Drug Discovery: Methods and Applications

Journal: Current Topics in Medicinal Chemistry
Volume: 10 Issue: 6 Year: 2010 Page: 669-679
Author(s): Jerry O. Ebalunode, Weifan Zheng

The Molecular Basis of COX-2 Versus COX-1 Selectivity of Lumiracoxib by Molecular Docking Studies

Journal: Letters in Drug Design & Discovery
Volume: 4 Issue: 6 Year: 2007 Page: 422-425
Author(s): Celia M. Correa, Andre F. de Paula, Gilberto M.S. da Silva, Carlos M.R. SantAnna, Carlos A. M. Fraga, Eliezer J. Barreiro

Molecular Dynamics Simulation of MNT

Ebook: Micro and Nanomachining Technology-Size, Model and Complex Mechanism
Volume: 1 Year: 2014
Author(s): Xuesong Han
Doi: 10.2174/9781608057696114010005

Molecular Modeling Studies of Estrogen Receptor Modulators

Journal: Current Computer-Aided Drug Design
Volume: 2 Issue: 3 Year: 2006 Page: 229-253
Author(s): Subhendu Mukherjee, Achintya Saha

Molecular Modeling of Melanocortin Receptors

Journal: Current Topics in Medicinal Chemistry
Volume: 7 Issue: 1 Year: 2007 Page: 1042-1051
Author(s): Hongmao Sun, David Fry

Molecular Dynamics, Density Functional Theory, Pharmacophore Modeling, Molecular Interaction Fields and ADME/Tox Investigation of Novel Bioactive Compounds Interacting with CDK2 Surfaces

Journal: Current Physical Chemistry
Volume: 4 Issue: 1 Year: 2014 Page: 94-105
Author(s): Fernanda P. Ferreira,Wagner F. Couto,Vanessa Fontana,Carlton A. Taft,Carlos H.T.P. Da Silva

Molecular Docking Algorithms

Journal: Current Drug Targets
Volume: 9 Issue: 1 Year: 2008 Page: 1040-1047
Author(s): Raquel Dias, Walter Filgueira de Azevedo Jr.

Substituted 1,2,4-oxodiazoles as Potent Inhibitors of Human 11β - hydroxysteroid Dehydrogenase Type 1 (11β-HSD1): Virtual Screening and Docking Results

Journal: Letters in Drug Design & Discovery
Volume: 13 Issue: 3 Year: 2016 Page: 226-233
Author(s): Dmitry V. Ziolkovskiy,Victoria V. Lipson,Anastasia D. Nikitina,Valentin A. Chebanov

Molecular Modelling Approaches to Antibacterial Drug Design and Discovery

Ebook: Frontiers in Anti-Infective Drug Discovery
Volume: 7 Year: 2018
Author(s): Agnieszka A. Kaczor,Prasanthi Medarametla,Damian Bartuzi,Magdalena Kondej,Dariusz Matosiuk,Antti Poso
Doi: 10.2174/9781681085623118070006

Analysis of Wild-Type and Gly96Ala Mutant EPSP Synthase Structures via in Silico Docking with Inhibitors and Molecular Dynamics Simulation

Journal: Current Bioactive Compounds
Volume: 5 Issue: 2 Year: 2009 Page: 110-118
Author(s): Melissa S. Caetano, Teodorico C. Ramalho, Elaine F.F. da Cunha, Daniela Josa, Thais C.S. Souza

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