Search Result "Molecular dynamicssimulations."


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

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):

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

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

Research Article

Insights to Design New Drugs against Human African TrypanosomiasisTargeting Rhodesain using Covalent Docking, Molecular DynamicsSimulations, and MM-PBSA Calculations

Journal: Current Computer-Aided Drug Design
Volume: 20 Issue: 0 Year: 2024 Page: 1-16
Author(s):

Mechanism of A pH-induced Peptide Inserting into a POPC Bilayer: A Molecular Dynamic Study

Journal: Current Pharmaceutical Biotechnology
Volume: 15 Issue: 9 Year: 2014 Page: 814-822
Author(s): Chui-Peng Kong,Ying-Lu Cui,Ji-Long Zhang,Qing-Chuan Zheng,Hong-Xing Zhang

Research Article

Methanol and Sorbitol Affect the Molecular Dynamics of Arginine Deiminase:Insights for Improving its Stability

Journal: Current Proteomics
Volume: 19 Issue: 5 Year: 2022 Page: 380-387
Author(s):

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

Molecular Dynamics and Regulation of Butyrylcholinesterase Cholinergic Activity by RNA Binding Proteins

Journal: CNS & Neurological Disorders - Drug Targets
Volume: 13 Issue: 8 Year: 2014 Page: 1366-1377
Author(s): Iqra Sohail,Sajid Rashid

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