BioinformaticsbioRxivPreprint
Application of new informatics tools for identifying allosteric lead ligands of the c-Src kinase
Lili X. Peng, Morgan Lawrenz, Diwakar Shukla…·Russ B. Altman
The paper identifies sixteen allosteric lead ligands of c-Src kinase using MD simulations, Markov State Models, and ligand screening from the ZINC database.
DOI 10.1101/038323