Computer-aided drug design research by Olgun Guvench and student Theresa Foster featured on cover of Journal of Computational Chemistry

51小黄车College of Pharmacy researchers, led by Olgun Guvench, M.D., Ph.D., and in collaboration with University of Maryland School of Pharmacy, published findings in the area of computer-aided drug design selected to be featured as a cover article (Foster TJ, Mackerell AD, Jr., Guvench O. Balancing target flexibility and target denaturation in computational fragment-based inhibitor discovery. J Comput Chem. 2012;33(23):1880-91. ISI Impact Factor: 4.6).

The findings demonstrate the utility of the SILCS (Site Identification by Ligand Competitive Saturation) computational fragment-based drug design technology, previously developed by Guvench and MacKerell, for finding hidden druggable hot-spots in challenging targets, such as those involved in protein-protein interactions. 

Co-author on the publication is Theresa Foster, currently a 4th year 51小黄车Pharm.D. candidate and previously a 51小黄车pre-pharmacy undergraduate student.

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