BEGIN:VCALENDAR VERSION:2.0 CALSCALE:GREGORIAN PRODID:iCalendar-Ruby BEGIN:VEVENT CATEGORIES:Lectures & Presentations DESCRIPTION:Professor Sumit Sharma will be the guest speaker for the Chemis try & Biochemistry Colloquium. Dr. Sharma is an Associate Professor of Chem ical and Biomolecular Engineering at Ohio University\, discussing "Understa nding Protein – Protein and Protein – Ligand Interactions Using Molecular S imulations."\n\n \n\nProtein association plays an important role in a host of cellular\, physiological\, and pathophysiological processes including si gnal transduction\, gene regulation\, cell recognition\, cell motility\, an d innate immune response. Aberrant protein association has been implicated in numerous pathological conditions\, including metabolic disorders\, patho logical inflammation\, cancer\, and neurological disease. Identifying small molecule ligands that are able to inhibit protein-protein interactions may help in developing novel therapeutics for the treatment of these diseases. In this presentation\, I will discuss our recent work on using advanced mo lecular simulation methodologies to study protein – protein and protein – l igand interactions. We have studied the dimerization of Interferon Regulato ry Factor - 3 (IRF-3) protein\, which plays a critical role in the innate i mmune response in our body. Molecular simulations reveal the best dimer con figuration of IRF-3 proteins as function of their phosphorylation state as well as the molecular pathways associated with the dimerization process. We have also studied ligand binding to the Glycogen Synthase Kinase - 3 (GSK- 3) protein using Markov State modeling. Our predictions match experimental findings quite well. The simulations help in identifying molecular signatur es of good binders. \n\n \n\nBio: Dr. Sumit Sharma earned Ph.D. in chemica l engineering from Columbia University and did postdoctoral research at Pri nceton University. He was awarded the National Science Foundation CAREER aw ard in 2021\, the White Research Award in 2022 and 2019\, and the American Chemical Society Petroleum Research Fund award in 2016. His research is in molecular dynamics and Monte Carlo simulations of proteins\, surfactants\, polymers\, and water. He has expertise in free energy and rare-event sampli ng methodologies. DTEND:20231025T210000Z DTSTAMP:20240706T005635Z DTSTART:20231025T201000Z LOCATION:Walter Hall\, 145 SEQUENCE:0 SUMMARY:Chemistry Colloquium: Understanding Protein – Protein and Protein – Ligand Interactions Using Molecular Simulations\, Oct. 25 UID:tag:localist.com\,2008:EventInstance_44571805277526 URL:https://calendar.ohio.edu/event/chemistry_colloquium_understanding_prot ein_protein_and_protein_ligand_interactions_using_molecular_simulations END:VEVENT END:VCALENDAR