Bazzoli, Andrea

Enhancements to the Rosetta Energy Function Enable Improved Identification of Small Molecules that Inhibit Protein-Protein Interactions. [electronic resource] - PloS one 2015 - e0140359 p. digital

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

1932-6203

10.1371/journal.pone.0140359 doi


Drug Discovery--methods
Models, Molecular
Molecular Structure
Protein Binding--drug effects
Protein Interaction Maps--drug effects
Protein Structure, Tertiary
Reproducibility of Results
Small Molecule Libraries--chemistry
Thermodynamics