Search Result "molecular dynamics simula-tion"


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

Identification of Novel GSK1070916 Analogs as Potential Aurora B Inhibitors: Insights from Molecular Dynamics and MM/GBSA Based Rescoring

Journal: Letters in Drug Design & Discovery
Volume: 12 Issue: 1 Year: 2015 Page: 2-13
Author(s): Faraz Shaikh,Soumendranath Bhakat,Abhishek Thakur,Ashish Radadiya,Mahmoud E. S. Soliman,Anamik Shah

Computer-aided Identification of Novel DprE1 Inhibitors as Potential Anti-TB Lead Compounds: A Hybrid Virtual-screening and Molecular Dynamics Approach

Journal: Letters in Drug Design & Discovery
Volume: 12 Issue: 4 Year: 2015 Page: 302-313
Author(s): Yushir Maharaj,Soumendranath Bhakat,Mahmoud E. S. Soliman

In Silico Identification of Novel APRIL Peptide Antagonists and Binding Insights by Molecular Modeling and Immunosorbent Assays

Journal: Protein & Peptide Letters
Volume: 22 Issue: 5 Year: 2015 Page: 432-442
Author(s): Joao H.M. da Silva,Flavia Calmon-Hamaty,Wilson Savino,Michael Hahne,Ernesto R. Caffarena

CEST MRI for Molecular Imaging of Brain Metabolites

Journal: Current Molecular Imaging (Discontinued)
Volume: 4 Issue: 2 Year: 2015 Page: 100-108
Author(s): Kejia Cai,Rongwen Tain,Xiaohong J. Zhou,Charles E. Ray

Mechanistic Basis Of Peptide-Protein Interaction In AtPep1-PEPR1 Complex In Arabidopsis thaliana

Journal: Protein & Peptide Letters
Volume: 22 Issue: 7 Year: 2015 Page: 618-627
Author(s): Upadhyayula S. Raghavender, Ramanathan Sowdhamini

Recapturing the Correlated Motions of Protein Using Coarse- Grained Models

Journal: Protein & Peptide Letters
Volume: 22 Issue: 7 Year: 2015 Page: 654-659
Author(s): Yan Lu, Freddie R. Salsbury

Structure and Function of Water Molecules Buried in the Protein Core

Journal: Current Protein & Peptide Science
Volume: 16 Issue: 3 Year: 2015 Page: 259-265
Author(s): Oliviero Carugo

An Overview of Fuel Cells and Simulation Models: Review on Solid Oxide Fuel Cells

Journal: Current Physical Chemistry
Volume: 5 Issue: 3 Year: 2015 Page: 223-252
Author(s): Jose G. S. Canchaya, Nelson C. Furtado, Carlton A. Taft

Modeling of Dopamine D2 Receptor - Overview of 35-Year Evolution

Journal: Current Medicinal Chemistry
Volume: 22 Issue: 25 Year: 2015 Page: 2972-2990
Author(s): Vladimir Sukalovic,Vukic Soskic,Sladjana Kostic-Rajacic

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