1. HYBRID QUANTUM/CLASSICAL MOLECULAR DYNAMICS SIMULATIONS OF HYDROGEN TRANSFER REACTIONS IN ENZYMES Open Access Author: Chakravorty, Dhruva Kumar Title: HYBRID QUANTUM/CLASSICAL MOLECULAR DYNAMICS SIMULATIONS OF HYDROGEN TRANSFER REACTIONS IN ENZYMES Graduate Program: Chemistry Keywords: DLPROTEINEVBDHFRketosteroid isomeraseKSIWHAMUmbrella Integrationhydrogen transfer File: Download thesis15-1.pdf Committee Members: Prof Sharon Hammes Schiffer, Dissertation Advisor/Co-AdvisorProf Sharon Hammes Schiffer, Committee Chair/Co-ChairJames Bernhard Anderson, Committee MemberPhilip C. Bevilacqua, Committee MemberJames David Kubicki, Committee Member
