Absolute binding free energy calculations using molecular dynamics simulations with restraining potentials.
Wang, Jiyao
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
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