TY  - GEN
AU  - Hirono,S
AU  - Kollman,P A
TI  - Relative binding free energy calculations of inhibitors to two mutants (Glu46----Ala/Gln) of ribonuclease T1 using molecular dynamics/free energy perturbation approaches
SN  - 0269-2139
PY  - 1991///0823
KW  - Adenosine Monophosphate
KW  - pharmacology
KW  - Binding Sites
KW  - Energy Transfer
KW  - Guanosine Monophosphate
KW  - Hydrogen Bonding
KW  - Mathematics
KW  - Models, Molecular
KW  - Molecular Conformation
KW  - Mutagenesis, Site-Directed
KW  - Ribonuclease T1
KW  - antagonists & inhibitors
KW  - Substrate Specificity
KW  - Thermodynamics
KW  - X-Ray Diffraction
N1  - Publication Type: Journal Article; Research Support, U.S. Gov't, Non-P.H.S.; Research Support, U.S. Gov't, P.H.S
UR  - https://doi.org/10.1093/protein/4.3.233
ER  -