Foster, Theresa J

Balancing target flexibility and target denaturation in computational fragment-based inhibitor discovery. [electronic resource] - Journal of computational chemistry Sep 2012 - 1880-91 p. digital

Publication Type: Journal Article; Research Support, N.I.H., Extramural; Research Support, Non-U.S. Gov't

1096-987X

10.1002/jcc.23026 doi


Binding Sites--drug effects
Crystallography, X-Ray
Drug Discovery
Interleukin-2--antagonists & inhibitors
Ligands
Models, Molecular
Molecular Dynamics Simulation
Protein Denaturation--drug effects
Software
Structure-Activity Relationship