TY  - GEN
AU  - Pan,Albert C
AU  - Xu,Huafeng
AU  - Palpant,Timothy
AU  - Shaw,David E
TI  - Quantitative Characterization of the Binding and Unbinding of Millimolar Drug Fragments with Molecular Dynamics Simulations
SN  - 1549-9626
PY  - 2018///0410
KW  - Binding Sites
KW  - Crystallography, X-Ray
KW  - Molecular Dynamics Simulation
KW  - Pharmaceutical Preparations
KW  - chemistry
KW  - Protein Binding
KW  - Sirolimus
KW  - Tacrolimus
KW  - Tacrolimus Binding Proteins
KW  - Thermodynamics
N1  - Publication Type: Journal Article
UR  - https://doi.org/10.1021/acs.jctc.7b00172
ER  -