Search Result "Molecular dynamicssimulation."


Research Article

Network Pharmacology, Molecular Docking Analysis and Molecular DynamicsSimulation of Scutellaria baicalensis in the Treatment of Liver Fibrosis

Journal: Current Pharmaceutical Design
Volume: 30 Issue: 17 Year: 2024 Page: 1326-1340
Author(s):

Mini-Review Article

In Silico Pharmacokinetics, Molecular Docking and Molecular DynamicsSimulation Studies of Nucleoside Analogs for Drug Discovery- A MiniReview

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 24 Issue: 11 Year: 2024 Page: 1070-1088
Author(s): Sarkar M.A. Kawsar,Nasrin S. Munia

Research Article

A Computational Investigation on Chitosan Derivatives using Pharmacophore-based Screening, Molecular Docking, and Molecular DynamicsSimulations against Kaposi Sarcoma

Journal: Current Computer-Aided Drug Design
Volume: 20 Issue: 3 Year: 2024 Page: 248-263
Author(s): Gowtham Kumar Subbaraj

Research Article

Discovery of Novel Lysine Methyltransferase (SMYD3) Inhibitors byUtilizing 3D-QSAR, Molecular Docking and Molecular Dynamics Simulation

Journal: Letters in Drug Design & Discovery
Volume: 21 Issue: 10 Year: 2024 Page: 1728-1744
Author(s):

Research Article

Investigation of the Underlying Mechanism of Zhibai Dihuang Pill in Treating Osteoporosis by using Network Pharmacology and Molecular DynamicsSimulation

Journal: Endocrine, Metabolic & Immune Disorders - Drug Targets
Volume: 23 Issue: 9 Year: 2023 Page: 1201-1214
Author(s):

Research Article

Theoretical Studies on the Selectivity Mechanisms of Glycogen Synthase Kinase 3β (GSK3β) with Pyrazine ATP-competitive Inhibitors by 3DQSAR, Molecular Docking, Molecular Dynamics Simulation and Free Energy Calculations

Journal: Current Computer-Aided Drug Design
Volume: 16 Issue: 1 Year: 2020 Page: 17-30
Author(s): Jingyu Zhu,Yuanqing Wu,Lei Xu,Jian Jin

Molecular Simulation in Drug Design: An Overview of Molecular Dynamics Methods

Ebook: Applied Computer-Aided Drug Design: Models and Methods
Volume: 1 Year: 2023
Author(s):
Doi: 10.2174/9789815179934123010009

Research Article

Assessing the Antimalarial Potentials of Phytochemicals: Virtual Screening, Molecular Dynamics and In-Vitro Investigations

Journal: Letters in Drug Design & Discovery
Volume: 16 Issue: 3 Year: 2019 Page: 291-300
Author(s): Saumya K. Patel,Mohd Athar,Prakash C. Jha,Vijay M. Khedkar,Yogesh Jasrai,Himanshu A. Pandya,Linz-buoy George,Hyacinth Highland,Supriya Sharma

Research Article

Exploration and Validation of Lead Molecules against Yellow Feverthrough High Throughput Virtual Screening and Molecular DynamicsSimulation

Journal: Letters in Drug Design & Discovery
Volume: 21 Issue: 8 Year: 2024 Page: 1417-1428
Author(s): Thameema Parveen Sahul,Gowtham Kumar Subbaraj

Review Article

Use of Molecular Dynamics Simulations in Structure-Based Drug Discovery

Journal: Current Pharmaceutical Design
Volume: 25 Issue: 31 Year: 2019 Page: 3339-3349
Author(s): Indrani Bera,Pavan V. Payghan

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