Use of the FACTS solvation model for protein-ligand docking calculations. Application to EADock
ContributorsZoete, Vincent; Grosdidier, Aurélien; Cuendet, Michel; Michielin, Olivier
Published inJMR. Journal of molecular recognition, vol. 23, no. 5, p. 457-461
Publication date2010
Abstract
Keywords
- Algorithms
- Computer Simulation
- Drug Discovery
- Ligands
- Models, Molecular
- Protein Binding
- Proteins / chemistry
- Proteins / metabolism
- Solvents / chemistry
- Static Electricity
- Thermodynamics
Affiliation entities Not a UNIGE publication
Citation (ISO format)
ZOETE, Vincent et al. Use of the FACTS solvation model for protein-ligand docking calculations. Application to EADock. In: JMR. Journal of molecular recognition, 2010, vol. 23, n° 5, p. 457–461. doi: 10.1002/jmr.1012
Main files (1)
Article (Published version)
Identifiers
- PID : unige:191606
- DOI : 10.1002/jmr.1012
- PMID : 20101644
Additional URL for this publicationhttps://onlinelibrary.wiley.com/doi/10.1002/jmr.1012
Journal ISSN0952-3499
