Structural Biology/Biochemistry Seminar
Tuesday, January 13, 2015
11:15 AM  in 112 KLB

“In silico design in the valley of death”

Kireev_DmitriDr. Dmitri Kireev

Professor, Chemical Biology & Medicinal Chemistry
Director, Computational Biophysics and Molecular Design
Center for Integrative Chemical Biology and Drug Discovery
University of North Carolina-Chapel Hill
Eshelman School of Pharmacy
Hosted by Dr. Wei Yang and Dr. Igor Alabugin


Drug discovery is gaining momentum in academia in an effort to bridge the so called “valley of death”. The Center for Integrative Chemical Biology and Drug Discovery at UNC is engaged in developing probes and drug-candidates for novel therapeutic targets. Computational approaches are instrumental in collaborative translational projects. Virtual screening, structure-based techniques and molecular simulations are of particular interest in an academic setting. Two stories will illustrate the role and significance of computer-aided modeling in the translational research at UNC: (i) discovery of Mer kinase inhibitors to target Acute Lymphoblastic Leukemia and (ii) development of chemical probes for functional characterization of methyllysine histone effectors.

Research Interests

• Computational Biophysics
• In silico Drug Design
• Drug Discovery Informatics