Absolute binding free energy calculations using molecular dynamics simulations with restraining potentials. [electronic resource]
- Biophysical journal Oct 2006
- 2798-814 p. digital
Publication Type: Journal Article; Research Support, Non-U.S. Gov't; Research Support, U.S. Gov't, Non-P.H.S.
0006-3495
10.1529/biophysj.106.084301 doi
Computer Simulation Ligands Models, Molecular Protein Binding Protein Conformation Tacrolimus--chemistry Tacrolimus Binding Protein 1A--chemistry Thermodynamics