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