Prediction of the binding affinity of compounds with diverse scaffolds by MP-CAFEE
Author:
Publisher
Elsevier BV
Subject
Organic Chemistry,Biochemistry,Biophysics
Reference31 articles.
1. Free energy calculations: applications to chemical and biochemical phenomena;Kollman;Chemical Reviews,1993
2. Continuum solvent studies of the stability of DNA, RNA and phosphoramidate–DNA helices;Srinivasan;Journal of the American Chemical Society,1998
3. Direct calculation of the binding free energies of FKBP ligands;Fujitani;Journal of Chemical Physics,2005
4. Nonequilibrium equality for free energy differences;Jarzynski;Physical Review Letters,1997
5. Massively parallel computation of absolute binding free energy with well-equilibrated states;Fujitani;Physical Review E,2009
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