Search Result "docking and molecular dynamics"
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
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 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):
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
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
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
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
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
Relevance of Molecular Docking Studies in Drug Designing
Journal: Current Bioinformatics
Volume: 15 Issue: 4 Year: 2020 Page: 270-278
Author(s): Ritu Jakhar,Mehak Dangi,Alka Khichi,Anil Kumar Chhillar
Molecular Docking Algorithms
Journal: Current Drug Targets
Volume: 9 Issue: 1 Year: 2008 Page: 1040-1047
Author(s): Raquel Dias, Walter Filgueira de Azevedo Jr.