Search Result "molecular simulation"


Molecular Dynamics Simulations of Protein Targets Identified in Mycobacterium tuberculosis

Journal: Current Medicinal Chemistry
Volume: 18 Issue: 9 Year: 2011 Page: 1353-1366
Author(s): W. F. de Azevedo

Bio-Inspired Algorithms Applied to Molecular Docking Simulations

Journal: Current Medicinal Chemistry
Volume: 18 Issue: 9 Year: 2011 Page: 1339-1352
Author(s): G. Heberle, W. F. de Azevedo

Molecular Dynamics Simulation of Nanoflow Inside Non-Smooth Pipe

Journal: Micro and Nanosystems
Volume: 3 Issue: 2 Year: 2011 Page: 166-171
Author(s): Wenfei Zhang

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

Drug Design by Generalized-Ensemble Simulations

Journal: Current Pharmaceutical Design
Volume: 17 Issue: 1 Year: 2011 Page: 1758-1772
Author(s): Yuko Okamoto

Docking and Molecular Dynamics Simulations of Peroxisome Proliferator Activated Receptors Interacting with Pan Agonist Sodelglitazar

Journal: Protein & Peptide Letters
Volume: 18 Issue: 1 Year: 2011 Page: 1021-1027
Author(s): Xu-Yuan Liu, Run-Ling Wang, Wei-Ren Xu, Li-Da Tang, Shu-Qing Wang, Kuo-Chen Chou

The Effects of Temperature and Scan Velocity on Direct-write Dip-pen Nanolithography Using Molecular Dynamics Simulation

Journal: Current Nanoscience
Volume: 7 Issue: 5 Year: 2011 Page: 830-837
Author(s): Cheng-Da Wu, Te-Hua Fang, Yan-Jiun Huang

Structural Basis of Agonist Selectivity for Different nAChR Subtypes: Insights from Crystal Structures, Mutation Experiments and Molecular Simulations

Journal: Current Pharmaceutical Design
Volume: 17 Issue: 1 Year: 2011 Page: 1652-1662
Author(s): Ruo-Xu Gu, Yu-Qing Zhong, Dong-Qing Wei

Assessment of Glycoproteins Dynamics from Computer Simulations

Journal: Mini-Reviews in Organic Chemistry
Volume: 8 Issue: 3 Year: 2011 Page: 229-238
Author(s): Laercio Pol-Fachin, Hugo Verli

Molecular Recognition in the Case of Flexible Targets

Journal: Current Pharmaceutical Design
Volume: 17 Issue: 1 Year: 2011 Page: 1663-1671
Author(s): Anthony Ivetac, J. Andrew McCammon

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