TY - GEN AU - Wang,Jiyao AU - Deng,Yuqing AU - Roux,BenoƮt TI - Absolute binding free energy calculations using molecular dynamics simulations with restraining potentials SN - 0006-3495 PY - 2006///1214 KW - Computer Simulation KW - Ligands KW - Models, Molecular KW - Protein Binding KW - Protein Conformation KW - Tacrolimus KW - chemistry KW - Tacrolimus Binding Protein 1A KW - Thermodynamics N1 - Publication Type: Journal Article; Research Support, Non-U.S. Gov't; Research Support, U.S. Gov't, Non-P.H.S UR - https://doi.org/10.1529/biophysj.106.084301 ER -