Computer-aided drug design research by Olgun Guvench and student Theresa Foster featured on cover of Journal of Computational Chemistry
ÀÖ²¥´«Ã½ 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 ÀÖ²¥´«Ã½ Pharm.D. candidate and previously a ÀÖ²¥´«Ã½ pre-pharmacy undergraduate student.