TY  - GEN
AU  - Foster,Theresa J
AU  - MacKerell,Alexander D
AU  - Guvench,Olgun
TI  - Balancing target flexibility and target denaturation in computational fragment-based inhibitor discovery
SN  - 1096-987X
PY  - 2013///0603
KW  - Binding Sites
KW  - drug effects
KW  - Crystallography, X-Ray
KW  - Drug Discovery
KW  - Interleukin-2
KW  - antagonists & inhibitors
KW  - Ligands
KW  - Models, Molecular
KW  - Molecular Dynamics Simulation
KW  - Protein Denaturation
KW  - Software
KW  - Structure-Activity Relationship
N1  - Publication Type: Journal Article; Research Support, N.I.H., Extramural; Research Support, Non-U.S. Gov't
UR  - https://doi.org/10.1002/jcc.23026
ER  -