Olgun Guvench

Dr. Olgun Guvench joined the UNE College of Pharmacy as Assistant Professor in the Department of Pharmaceutical Sciences in July of 2009. Before joining UNE, Dr. Guvench was a National Institutes of Health Kirschstein Postdoctoral Fellow at the University of Maryland, where he trained in biomolecular simulation and structure-based discovery/design, including developing new atomic-resolution models for simulating carbohydrates. Prior to his postdoctoral training, Dr. Guvench earned a Ph.D. (2005) from the Scripps Research Institute, with a thesis titled "Theoretical Studies of Proteins and Protein-Ligand Complexes," an M.D. (2001) from Columbia University, and an undergraduate degree in chemistry from Harvard University (1997). Dr. Guvench teaches biomedical sciences to Pharm.D. students and pursues research in the fields of biomolecular simulation, with a focus on protein-carbohydrate interactions.



The Scripps Research Institute



Columbia University



Harvard University


Post-Doctoral Training

NIH Kirschstein Postdoctoral Fellowship

University of Maryland



Clinical Affiliations



biomolecular simulation


Current Research

Recent systems under study include:
-chondroitin sulfate

Research Interests

-Protein-carbohydrate interactions in molecular recognition and signaling

Selected Publications

Du X, Zhou J, Guvench O, Sangiorgi FO, Li X, Zhou N, Xu B. Supramolecular Assemblies of A Conjugate of Nucleobase, Amino Acids, and Saccharide Act as Agonists for Proliferation of Embryonic Stem Cells and Development of Zygotes. Bioconjug Chem. 2014 Jun 18;25(6):1031-5.

Favreau AJ, Faller CE, Guvench O. CD44 Receptor Unfolding Enhances Binding by Freeing Basic Amino Acids to Contact Carbohydrate Ligand. Biophys J. 2013 Sep 3;105(5):1217-26.

Yu B, Liu W, Yu WM, Loh ML, Alter S, Guvench O, Mackerell AD Jr, Tang LD, Qu CK. Targeting Protein Tyrosine Phosphatase SHP2 for the Treatment of PTPN11-Associated Malignancies. Mol Cancer Ther. 2013 Sep;12(9):1738-48.

Faller CE, Reilly KA, Hills RD, Jr., Guvench O. Peptide backbone sampling convergence with the adaptive biasing force algorithm. J Phys Chem B. 2013;117(2):518-26.

Mallajosyula SS, Guvench O, Hatcher E, Mackerell AD, Jr. CHARMM Additive All-Atom Force Field for Phosphate and Sulfate Linked to Carbohydrates. J Chem Theory Comput. 2012;8(2):759-76.

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. (selected for the cover)

Velvadapu V, Paul T, Wagh B, Klepacki D, Guvench O, Mackerell A, Jr., Andrade RB. Desmethyl Macrolide Analogues to Address Antibiotic Resistance: Total Synthesis and Biological Evaluation of 4,8,10-Tridesmethyl Telithromycin. ACS Med Chem Lett. 2011;2(1):68-72.

Raman EP, Yu W, Guvench O, MacKerell AD, Jr. Reproducing Crystal Binding Modes of Ligand Functional Groups Using Site-Identification by Ligand Competitive Saturation (SILCS) Simulations. J Chem Inf Model. 2011;51(4):877-96.

Jamison FW, 2nd, Foster TJ, Barker JA, Hills RD, Jr., Guvench O. Mechanism of binding site conformational switching in the CD44-hyaluronan protein-carbohydrate binding interaction. J Mol Biol. 2011;406(4):631-47.

Guvench O, Mallajosyula SS, Raman EP, Hatcher E, Vanommeslaeghe K, Foster TJ, Jamison FW, 2nd, Mackerell AD, Jr. CHARMM additive all-atom force field for carbohydrate derivatives and its utility in polysaccharide and carbohydrate-protein modeling. J Chem Theory Comput. 2011;7(10):3162-80.

Darian E, Guvench O, Yu B, Qu CK, MacKerell AD, Jr. Structural mechanism associated with domain opening in gain-of-function mutations in SHP2 phosphatase. Proteins. 2011;79(5):1573-88.

Funded Grants

NIH R15GM099022                                                                              
“Molecular Mechanism of Flexible Carbohydrate-Protein Interaction in CD44”
9/1/2011 – 8/31/2014
Role: PI


Olgun Guvench


M.D., Ph.D.

Assistant Professor and Vice-Chair,

Department of Pharmaceutical Sciences

Chair, Institutional Review Board

Pharmacy Building


(207) 221-4171

Eligible for Student Opportunities