Search Result "molecular docking and dynamicssimulation"
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
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):
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
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):
Role of Ensemble Conformational Sampling Using Molecular Docking & Dynamics in Drug Discovery
Ebook: Frontiers in Computational Chemistry
Volume: 6 Year: 2022
Author(s):
Doi: 10.2174/9789815036848122060004
3D-QSAR Assisted Design of Novel 7-Deazapurine Derivatives as TNNI3K Kinase Inhibitors Using Molecular Docking and Molecular Dynamics Simulation
Journal: Letters in Drug Design & Discovery
Volume: 17 Issue: 2 Year: 2020 Page: 155-168
Author(s): Pavithra K. Balasubramanian,Anand Balupuri,Swapnil P. Bhujbal,Seung Joo Cho
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
Structural Investigation of Vinca Domain Tubulin Binders by Pharmacophore, Atom based QSAR, Docking and Molecular Dynamics Simulations
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 20 Issue: 8 Year: 2017 Page: 682-695
Author(s): Mohd Athar,Mohsin Y. Lone,Vijay M. Khedkar,Ashish Radadiya,Anamik Shah,Prakash C. Jha
Histidine Hydrogen Bonding in MHC at pH 5 and pH 7 Modeled by Molecular Docking and Molecular Dynamics Simulations
Journal: Current Computer-Aided Drug Design
Volume: 10 Issue: 1 Year: 2014 Page: 41-49
Author(s): Atanas Patronov,Edvokiya Salamanova,Ivan Dimitrov,Darren R. Flower,Irini Doytchinova
The Potential Mechanism of Liujunzi Decoction in the Treatment of BreastCancer based on Network Pharmacology and Molecular Docking Technology
Journal: Current Pharmaceutical Design
Volume: 30 Issue: 9 Year: 2024 Page: 702-726
Author(s):