Search Result "moleculardocking simulation."
Exploration of Luteolin as Potential Anti-COVID-19 Agent: MolecularDocking, Molecular Dynamic Simulation, ADMET and DFT Analysis
Journal: Letters in Drug Design & Discovery
Volume: 19 Issue: 8 Year: 2022 Page: 741-756
Author(s): Waseem Ahmad Ansari,Tanveer Ahamad,Mohsin Ali Khan,Zaw Ali Khan,Mohammad Faheem Khan
Virtual Screening of Native Variants of Focal Adhesion Kinase - A QSAR,Molecular Docking, and Dynamic Simulation Study
Journal: Letters in Drug Design & Discovery
Volume: 21 Issue: 2 Year: 2024 Page: 254-269
Author(s): Suchitra Krishna Prasad
Exploring the Potential Molecular Mechanism of the Shugan Jieyu Capsulein the Treatment of Depression through Network Pharmacology, MolecularDocking, and Molecular Dynamics Simulation
Journal: Current Computer-Aided Drug Design
Volume: 20 Issue: 5 Year: 2024 Page: 501-517
Author(s):
Identification of Novel PPAR-β/δ Agonists from Kaempferol, Quercetin, and Resveratrol Derivatives by Targeting Cancer: An Integrative MolecularDocking and Dynamics Simulation Approach
Journal: Letters in Drug Design & Discovery
Volume: 21 Issue: 4 Year: 2024 Page: 749-762
Author(s): Kiran Bharat Lokhande,Vishal Kumar Sahu,Rohit Singh Yadav,K. Venkateswara Swamy
Computational Investigations of Coumarin Derivatives as CyclindependentKinase 9 Inhibitors Using 3D-QSAR, Molecular Docking andMolecular Dynamics Simulation
Journal: Current Computer-Aided Drug Design
Volume: 18 Issue: 5 Year: 2022 Page: 363-380
Author(s):
The Power of Molecular Dynamics Simulations and Their Applications toDiscover Cysteine Protease Inhibitors
Journal: Mini-Reviews in Medicinal Chemistry
Volume: 24 Issue: 11 Year: 2024 Page: 1125-1146
Author(s): Igor José dos Santos Nascimento,Yvnni Maria Sales de Medeiros e Silva,Euzébio Guimarães Barbosa,Ricardo Olimpio de Moura
Molecular Dynamic Simulation and 3d-pharmacophore Modeling of AlphaMangostin and Its Derivatives against Estrogen Alpha Receptor
Journal: Letters in Drug Design & Discovery
Volume: 21 Issue: 6 Year: 2024 Page: 1103-1119
Author(s): Fateen Izzah Haziqah Binti Parlan
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
Virtual Screening and Multi-targets Investigation of Novel Diazine Derivativesas Potential Xanthine Oxidase Inhibitors Based on QSAR, MolecularDocking, ADMET Properties, Dynamics Simulation and NetworkPharmacology
Journal: Medicinal Chemistry
Volume: 19 Issue: 7 Year: 2023 Page: 704-716
Author(s):
Molecular Mechanism of the Affinity Interactions between BAFF and Its Peptides by Molecular Simulations
Journal: Protein & Peptide Letters
Volume: 22 Issue: 11 Year: 2015 Page: 992-999
Author(s): Xuegang Fu,Liyan Xuan,Yuzhe Wang,Jing Wei,Jian Sun