Search Result "molecular dynamics simula-tion"


Molecular Dynamics Simulations of Metalloproteinases Types 2 and 3 Reveal Differences in the Dynamic Behavior of the S1 Binding Pocket

Journal: Current Pharmaceutical Design
Volume: 13 Issue: 3 Year: 2007 Page: 3471-3475
Author(s): Cesar Augusto F. de Oliveira, Maurice Zissen, John Mongon, J. Andrew Mccammon

Review Article

Concise Review: Recent Advances in Molecular Dynamics Simulation of Nanomachining of Metals

Journal: Current Nanoscience
Volume: 12 Issue: 6 Year: 2016 Page: 653-665
Author(s): Junjie Zhang, Zhanfeng Wang, Yongda Yan, Tao Sun

The Dynamics of Drug Discovery

Journal: Current Topics in Medicinal Chemistry
Volume: 15 Issue: 20 Year: 2015 Page: 2043-2055
Author(s): Elisabetta Moroni,Antonella Paladino,Giorgio Colombo

Multidrug Resistance and Efflux Pumps: Insights from Molecular Dynamics Simulations

Journal: Current Topics in Medicinal Chemistry
Volume: 13 Issue: 24 Year: 2013 Page: 3165-3183
Author(s): Francesca Collu,Michele Cascella

Two-, Three-, and Four-State Events Occur in the Mechanical Unfolding of Small Protein L Using Molecular Dynamics Simulations

Journal: Protein & Peptide Letters
Volume: 17 Issue: 1 Year: 2010 Page: 92-103
Author(s): Anna V. Glyakina, Nikolay K. Balabaev, Oxana V. Galzitskaya

Molecular Modeling Used to Evaluate CYP2C9-Dependent Metabolism: Homology Modeling, Molecular Dynamics and Docking Simulations

Journal: Current Drug Metabolism
Volume: 12 Issue: 6 Year: 2011 Page: 533-548
Author(s): Jessica E. Mendieta-Wejebe, Jose Correa-Basurto, Erika M. Garcia-Segovia, Gisela Ceballos-Cancino, Martha C. Rosales-Hernandez

Research Article

Computational Investigations of Coumarin Derivatives as CyclindependentKinase 9 Inhibitors Using 3D-QSAR, Molecular Docking andMolecular Dynamics Simulation

Journal: Current Computer-Aided Drug Design
Volume: 18 Issue: 5 Year: 2022 Page: 363-380
Author(s):

Dynamics and Hydration of the Active Sites of Mammalian Cytochromes P450 Probed by Molecular Dynamics Simulations

Journal: Current Drug Metabolism
Volume: 13 Issue: 2 Year: 2012 Page: 177-189
Author(s): Tereza Hendrychova, Karel Berka, Veronika Navratilova, Pavel Anzenbacher, Michal Otyepka

Research Article

Some Flavolignans as Potent Sars-Cov-2 Inhibitors via Molecular Docking,Molecular Dynamic Simulations and ADME Analysis

Journal: Current Computer-Aided Drug Design
Volume: 18 Issue: 5 Year: 2022 Page: 337-346
Author(s):

Conformational Dynamics in FKBP Domains: Relevance to Molecular Signaling and Drug Design

Journal: Current Molecular Pharmacology
Volume: 9 Issue: 1 Year: 2016 Page: 5-26
Author(s): David M. LeMaster,Griselda Hernandez

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