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Elucidating the tight-binding mechanism of two oral anticoagulants to factor Xa by using induced-fit docking and molecular dynamics simulation
- Source :
- Journal of Biomolecular Structure and Dynamics. 38:625-633
- Publication Year :
- 2019
- Publisher :
- Informa UK Limited, 2019.
-
Abstract
- Communicated by Ramaswamy H. Sarma.
- Subjects :
- Pyridines
Chemistry
Administration, Oral
Anticoagulants
Hydrogen Bonding
General Medicine
Molecular Dynamics Simulation
Ligands
Molecular Docking Simulation
Thiazoles
Molecular dynamics
Tight binding
Structural Biology
Docking (molecular)
Benzamides
Factor Xa
Biophysics
Thermodynamics
Molecular Biology
Protein Binding
Subjects
Details
- ISSN :
- 15380254 and 07391102
- Volume :
- 38
- Database :
- OpenAIRE
- Journal :
- Journal of Biomolecular Structure and Dynamics
- Accession number :
- edsair.doi.dedup.....735248c62a62954d87d175dccd53cc05