Search Result "docking 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

Research Article

Finding Novel Anti-carcinomas Compounds by Targeting SFRP4 Through Molecular Modeling, Docking and Dynamic Simulation Studies

Journal: Current Computer-Aided Drug Design
Volume: 14 Issue: 2 Year: 2018 Page: 160-173
Author(s): M. Hassan,M. Azhar,Q. Abbas,H. Raza,A.A. Moustafa,S. Shahzadi,Z. Ashraf,S.Y. Seo

Research Article

Identification of Human Acetylcholinesterase Inhibitors from the Constituents of EGb761 by Modeling Docking and Molecular Dynamics Simulations

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 21 Issue: 1 Year: 2018 Page: 41-49
Author(s): Lihu Zhang,Dongdong Li,Fuliang Cao,Wei Xiao,Linguo Zhao,Gang Ding,Zhen zhong Wang

Research Article

Synthesis, Molecular Docking and Dynamics Simulation Studies of New 7-oxycoumarin Derivatives as Potential Antioxidant Agents

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 18 Issue: 1 Year: 2018 Page: 1572-1587
Author(s): Nehad A. Abdel Latif,Rasha Z. Batran,Salwa F. Mohamed,Mohammed A Khedr,Mohamed I. Kobeasy,Sara A.F. Al- Shehri,Hanem M. Awad

Research Article

Molecular Modeling, Docking, Dynamics and Simulation of Gefitinib and its Derivatives with EGFR in Non-small Cell Lung Cancer

Journal: Current Computer-Aided Drug Design
Volume: 14 Issue: 3 Year: 2018 Page: 246-252
Author(s): Pulakuntla Swetha Reddy,Kiran Bharat Lokhande,Shuchi Nagar,Vaddi Damodara Reddy,P. Sushma Murthy,K. Venkateswara Swamy

Research Article

Prediction of the Interaction between Magnolia Extract, Herbal Medicines, with Human Serum Albumin Using Molecular Dynamics Simulation

Journal: Current Bioinformatics
Volume: 13 Issue: 2 Year: 2018 Page: 207-215
Author(s): Tayebeh Sharifi,Yousef Ghayeb

Research Article

Identification of Inhibitors for the Lutheran Blood Group Glycoprotein – Laminin 511/521 Interaction by Molecular Modelling and Simulation Techniques

Journal: Current Computer-Aided Drug Design
Volume: 14 Issue: 3 Year: 2018 Page: 253-268
Author(s): Fabrice Gardebien,Noelly Madeleine

Review Article

The Role of Simulation to Train Gynecology Residents in Minimally Invasive Surgery

Journal: Current Women`s Health Reviews
Volume: 14 Issue: 1 Year: 2018 Page: 11-17
Author(s): Teresa M. Walsh

Research Article

Molecular Docking and Dynamic Simulation Studies of Terpenoids of I. wightii (Bentham) H. Hara against Acetylcholinesterase and Histone Deacetylase3 Receptors

Journal: Current Computer-Aided Drug Design
Volume: 14 Issue: 3 Year: 2018 Page: 234-245
Author(s): Madhusudhanan Gogul Ramnath,Ramaraj Thirugnanasampandan,Nagarajan NagaSundaram,Gunasekaran Bhuvaneswari

Research Article

Molecular Modeling Studies of Urea-morpholinopyrimidine Analogues as Dual Inhibitors of mTORC1 and mTORC2 Using 3D-QSAR, Topomer CoMFA and Molecular Docking Simulations

Journal: Letters in Drug Design & Discovery
Volume: 15 Issue: 1 Year: 2018 Page: 1026-1035
Author(s): Xiaodong Gao,Yujie Ren,Jianqing Huang,Anjian Pan

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