Search Result "molecular dynamics and docking simulations."
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
Molecular Dynamics Simulation and Docking Studies of Selenocyanate Derivatives as Anti-Leishmanial Agents
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 19 Issue: 10 Year: 2016 Page: 847-854
Author(s): Maryam Iman,Hamid Bakhtiari Kaboutaraki,Rahim Jafari,Seyed Ayoub Hosseini,Abolghasem Moghimi,Ali Khamesipour,Asghar Beigi Harchegani,Asghar Davood
Molecular Docking and Molecular Dynamics Simulation of New PotentialJAK3 Inhibitors
Journal: Current Computer-Aided Drug Design
Volume: 20 Issue: 6 Year: 2024 Page: 764-772
Author(s):
Molecular Dynamics Simulations of CYP2E1
Journal: Medicinal Chemistry
Volume: 8 Issue: 2 Year: 2012 Page: 208-221
Author(s): Jue Li, Dong-Qing Wei, Jing-Fang Wang, Zheng-Tian Yu, Kuo-Chen Chou
Molecular Docking and Dynamics Simulation Studies of a Dataset of NLRP3Inflammasome Inhibitors
Journal: Recent Advances in Inflammation & Allergy Drug Discovery
Volume: 15 Issue: 2 Year: 2021 Page: 80-86
Author(s): Igor J. dos Santos Nascimento,Thiago M. de Aquino,Edeildo F. da Silva-Júnior
Modeling and Proposed Molecular Mechanism of Hydroxyurea Through Docking and Molecular Dynamic Simulation to Curtail the Action of Ribonucleotide Reductase
Journal: Recent Patents on Anti-Cancer Drug Discovery
Volume: 11 Issue: 4 Year: 2016 Page: 461-468
Author(s): Maryam Iman,Zeynab Khansefid,Asghar Davood
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):
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
The Interaction of Isoflavone Phytoestrogens with ERα and ERβ by Molecular Docking and Molecular Dynamics Simulations
Journal: Current Computer-Aided Drug Design
Volume: 17 Issue: 5 Year: 2021 Page: 655-665
Author(s): Ting Wang,Yaquan Liu,Xuming Zhuang,Feng Luan,Chunyan Zhao
Analysis of Wild-Type and Gly96Ala Mutant EPSP Synthase Structures via in Silico Docking with Inhibitors and Molecular Dynamics Simulation
Journal: Current Bioactive Compounds
Volume: 5 Issue: 2 Year: 2009 Page: 110-118
Author(s): Melissa S. Caetano, Teodorico C. Ramalho, Elaine F.F. da Cunha, Daniela Josa, Thais C.S. Souza