Mechanisms and free energies of enzymatic reactions.
Gao
Jiali
J
Department of Chemistry and Supercomputing Institute, Digital Technology Center, University of Minnesota, Minneapolis, Minnesota 55455, USA. gao@chem.umn.edu
Ma
Shuhua
S
Major
Dan T
DT
Nam
Kwangho
K
Pu
Jingzhi
J
Truhlar
Donald G
DG
D003198:Computer Simulation; D004798:Enzymes / Q000737:chemistry*; D006860:Hydrogen Bonding; D008956:Models, Chemical; D008968:Molecular Conformation; D011789:Quantum Theory; D012996:Solutions / Q000737:chemistry; D013816:Thermodynamics; D014867:Water / Q000737:chemistry
D004798:Enzymes; D012996:Solutions; D014867:Water