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Dynamic Function of the Alkyl Spacer of Acetogenins as Potent Inhibitors of Mitochondrial Complex I. A Molecular Dynamics Simulation Approach

Journal: Medicinal Chemistry
Volume: 9 Issue: 7 Year: 2013 Page: 926-937
Author(s): JosÃ© Abel Bombasaro,Exequiel Ernesto Barrera Guisasola,Marcelo Fabricio Masman,Miguel Angel Zamora,Ana MarÃa RodrÃguez

Protonation States in Molecular Dynamics Simulations of Peptide Folding and Binding

Journal: Current Pharmaceutical Design
Volume: 19 Issue: 2 Year: 2013 Page: 4173-4181
Author(s): Avraham Ben- Shimon, Deborah E. Shalev, Masha Y. Niv

Drug Design Benefits from Molecular Dynamics: Some Examples

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 4 Year: 2013 Page: 532-546
Author(s): Ji-Long Zhang,Qing-Chuan Zheng,Wen-Ting Chu,Hong-Xing Zhang

Mapping Myeloperoxidase to Identify its Promiscuity Properties Using Docking and Molecular Dynamics Simulations

Journal: Current Pharmaceutical Design
Volume: 19 Issue: 12 Year: 2013 Page: 2204-2215
Author(s): LA Ramirez-Duran,MC Rosales-Hernandez,Maricarmen Hernandez-Rodriguez,Jessica Elena Mendieta-Wejebe,Jose Trujillo-Ferrara,Jose Correa-Basurto

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

Role of Bivalent Cations in Structural Stabilities of New Drug Targets ââVacciniarelated Kinases (VRK) from Molecular Dynamics Simulations

Journal: Current Pharmaceutical Design
Volume: 19 Issue: 12 Year: 2013 Page: 2269-2281
Author(s): Ting Fu,Hong Ren,Jiajing Zhang,Pengyu Ren,Istvan Enyedy,Guohui Li

In Silico Study of Desmosdumotin as an Anticancer Agent: Homology Modeling, Docking and Molecular Dynamics Simulation Approach

Journal: Anti-Cancer Agents in Medicinal Chemistry
Volume: 13 Issue: 10 Year: 2013 Page: 1636-1644
Author(s): Changdev G. Gadhe,Gugan Kothandan,Seung Joo Cho

Ecology of Protein Dynamics

Journal: Current Physical Chemistry
Volume: 3 Issue: 1 Year: 2013 Page: 9-16
Author(s): Giuseppe Zaccai

Applications of Docking and Molecular Dynamic Studies on the Search for New Drugs Against the Biological Warfare Agents Bacillus anthracis and Yersinia pestis

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 4 Year: 2013 Page: 507-517
Author(s): Tanos Celmar Costa FranÃ§a,Ana Paula GuimarÃ£es,Wilian Augusto Cortopassi,Aline Alves Oliveira,Teodorico Castro Ramalho

Recent Advances in ProteinâLigand Interactions: Molecular Dynamics Simulations and Binding Free Energy

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 4 Year: 2013 Page: 518-531
Author(s): Kshatresh Dutta Dubey,Rakesh Kumar Tiwari,Rajendra Prasad Ojha

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