Recent Progress in Free Energy Methods
- 1 January 2017
- book chapter
- Published by Elsevier
- p. 34-50
Abstract
No abstract availableThis publication has 135 references indexed in Scilit:
- How Does a Drug Molecule Find Its Target Binding Site?Journal of the American Chemical Society, 2011
- Alchemical free energy methods for drug discovery: progress and challengesCurrent Opinion in Structural Biology, 2011
- Advances in all atom sampling methods for modeling protein–ligand binding affinitiesCurrent Opinion in Structural Biology, 2011
- Improved side‐chain torsion potentials for the Amber ff99SB protein force fieldProteins: Structure, Function, and Bioinformatics, 2010
- Predicting Ligand Binding Affinity with Alchemical Free Energy Methods in a Polar Model Binding SiteJournal of Molecular Biology, 2009
- Binding of Small-Molecule Ligands to Proteins: “What You See” Is Not Always “What You Get”Structure, 2009
- Efficient Drug Lead Discovery and OptimizationAccounts of Chemical Research, 2009
- Predicting Absolute Ligand Binding Free Energies to a Simple Model SiteJournal of Molecular Biology, 2007
- Confine-and-Release Method: Obtaining Correct Binding Free Energies in the Presence of Protein Conformational ChangeJournal of Chemical Theory and Computation, 2007
- Replica-exchange molecular dynamics method for protein foldingChemical Physics Letters, 1999