Search Result "molecular dynamics simulations"


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

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

Review Article

Use of Molecular Dynamics Simulations in Structure-Based Drug Discovery

Journal: Current Pharmaceutical Design
Volume: 25 Issue: 3 Year: 2019 Page: 3339-3349
Author(s): Indrani Bera,Pavan V. Payghan

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

Mini-Review Article

Receptor Dynamics in Molecular Recognition by Cryo-EM and Molecular Simulation

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 24 Issue: 1 Year: 2021 Page: 1696-1701
Author(s): Yizhen Zhao,He Wang,Yongjian Zang,Xun Zhu,Shengli Zhang,Lei Zhang

Molecular Dynamics Simulations of Membrane Proteins: Building Starting Structures and Example Applications

Journal: Current Physical Chemistry
Volume: 2 Issue: 4 Year: 2012 Page: 363-378
Author(s): Thomas H. Schmidt,Megan L. O'Mara,Christian Kandt

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): José Abel Bombasaro,Exequiel Ernesto Barrera Guisasola,Marcelo Fabricio Masman,Miguel Angel Zamora,Ana María Rodríguez

Molecular Dynamics Simulation for Ligand-Receptor Studies. Carbohydrates Interactions in Aqueous Solutions

Journal: Current Pharmaceutical Design
Volume: 8 Issue: 1 Year: 2002 Page: 1579-1604
Author(s): J. Raul Grigera

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

Review Article

Identification of Drug Binding Sites and Action Mechanisms with Molecular Dynamics Simulations

Journal: Current Topics in Medicinal Chemistry
Volume: 18 Issue: 2 Year: 2018 Page: 2268-2277
Author(s): Yang Wang,Cecylia Severin Lupala,Haiguang Liu,Xubo Lin

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