Search Result "molecular simulation"


Computer Simulation of Antimicrobial Peptides

Journal: Current Medicinal Chemistry
Volume: 14 Issue: 2 Year: 2007 Page: 2789-2798
Author(s): Edit Matyus, Christian Kandt, D. Peter Tieleman

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

Recent Progress of Molecular Docking Simulations Applied to Development of Drugs

Journal: Current Bioinformatics
Volume: 7 Issue: 4 Year: 2012 Page: 352-365
Author(s): Linus Santana Azevedo,Fernanda Pretto Moraes,Mariana Morrone Xavier,Eduarda Ozorio Pantoja,Bianca Villavicencio,Jana Aline Finck,Audrey Menegaz Proenca,Kelen Beiestorf Rocha,Walter Filgueira de Azevedo

Molecular Simulation of HDAC1/3 Inhibitor: Insights into the Structural Basis of Selectivity

Journal: Letters in Drug Design & Discovery
Volume: 13 Issue: 1 Year: 2016 Page: 43-46
Author(s): Lei Zhang,Lihui Zhang

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

Folding and Mis-Folding of Peptides and Proteins: Insights from Molecular Simulations

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 5 Issue: 4 Year: 2005 Page: 353-359
Author(s): Giacomo M.S. De Mori, Massimiliano Meli, Luca Monticelli, Giorgio Colombo

Research Article

Molecular Dynamics Simulation and Docking Studies of Selenocyanate Derivatives as Anti-Leishmanial Agents

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 19 Issue: 10 Year: 2016 Page: 847-854
Author(s): Maryam Iman,Hamid Bakhtiari Kaboutaraki,Rahim Jafari,Seyed Ayoub Hosseini,Abolghasem Moghimi,Ali Khamesipour,Asghar Beigi Harchegani,Asghar Davood

Review Article

Advancements in Docking and Molecular Dynamics Simulations Towards Ligand-receptor Interactions and Structure-function Relationships

Journal: Current Topics in Medicinal Chemistry
Volume: 18 Issue: 2 Year: 2018 Page: 1755-1768
Author(s): Ahmad Abu Turab Naqvi,Taj Mohammad,Gulam Mustafa Hasan,Md. Imtaiyaz Hassan

Molecular Dynamics Simulations of Intrinsically Disordered Proteins in Human Diseases

Journal: Current Computer-Aided Drug Design
Volume: 5 Issue: 4 Year: 2009 Page: 280-287
Author(s): Jihua Wang, Zanxia Cao, Shuqiang Li

Molecular Dynamics Simulations and Analysis of ABC Transporters

Journal: Current Computer-Aided Drug Design
Volume: 2 Issue: 3 Year: 2006 Page: 203-214
Author(s): Anthony M. George, Peter M. Jones

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