Search Result "Molecular dynamics simulations"


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

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

The Multifaceted Roles of Molecular Dynamics Simulations in Drug Discovery

Journal: Current Pharmaceutical Design
Volume: 22 Issue: 23 Year: 2016 Page: 3585-3600
Author(s): Stephen John Fox,Jianguo Li,Yaw Sing Tan,Minh N. Nguyen,Arumay Pal,Zohra Ouaray,Shilpa Yadahalli,Srinivasaraghavan Kannan

Review Article

Current Tools and Methods in Molecular Dynamics (MD) Simulations for Drug Design

Journal: Current Medicinal Chemistry
Volume: 23 Issue: 34 Year: 2016 Page: 3909-3924
Author(s): Maricarmen Hernández-Rodríguez,Martha C. Rosales-Hernández,Jessica E. Mendieta-Wejebe,Marlet Martínez-Archundia,José Correa Basurto

Research Article

Modeling and Proposed Molecular Mechanism of Hydroxyurea Through Docking and Molecular Dynamic Simulation to Curtail the Action of Ribonucleotide Reductase

Journal: Recent Patents on Anti-Cancer Drug Discovery
Volume: 11 Issue: 4 Year: 2016 Page: 461-468
Author(s): Maryam Iman,Zeynab Khansefid,Asghar Davood

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

Insights from the Molecular Dynamics Simulation of Cellobiohydrolase Cel6A Molecular Structural Model from Aspergillus fumigatus NITDGPKA3

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 19 Issue: 4 Year: 2016 Page: 325-333
Author(s): Subba Reddy Dodda,Nibedita Sarkar,Kaustav Aikat,Navanietha R. Krishnaraj,Sanchari Bhattacharjee,Angshuman Bagchi,Sudit S. Mukhopadhyay

Research Article

Docking, Molecular Dynamics Simulation and Synthesis of New Fenobam Analogues as mGlu5 Receptor Antagonists

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 19 Issue: 9 Year: 2016 Page: 764-770
Author(s): Abdollah Javidan,Mohammad Javad Taghizadeh,Seyed Ayoub Hosseini,Maryam Iman,Rahim Jafari

An Integrated In Silico Method to Discover Novel Rock1 Inhibitors: Multi- Complex-Based Pharmacophore, Molecular Dynamics Simulation and Hybrid Protocol Virtual Screening

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 19 Issue: 1 Year: 2016 Page: 36-50
Author(s): Haining Chen,Sijia Li,Yajiao Hu,Guo Chen,Qinglin Jiang,Rongsheng Tong,Zhihe Zang,Lulu Cai

Insights from Analysis of Binding Sites of Human Meprins: Screening of Inhibitors by Molecular Dynamics Simulation Study

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 19 Issue: 3 Year: 2016 Page: 246-258
Author(s): Ankur Chaudhuri,Asim K. Bera,Indrani Sarkar,Sibani Chakraborty

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