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Start Over Committee Member James David Kubicki Committee Member Philip C. Bevilacqua Committee Member Prof Sharon Hammes Schiffer Keyword DHFR Keyword Umbrella Integration Keyword Umbrella Integration Keyword WHAM Keyword hydrogen transfer Author Last Name Chakravorty

1. HYBRID QUANTUM/CLASSICAL MOLECULAR DYNAMICS SIMULATIONS OF HYDROGEN TRANSFER REACTIONS IN ENZYMES

open_access
Open Access
Author:
Chakravorty, Dhruva Kumar
Title:
HYBRID QUANTUM/CLASSICAL MOLECULAR DYNAMICS SIMULATIONS OF HYDROGEN TRANSFER REACTIONS IN ENZYMES
Graduate Program:
Chemistry
Keywords:
DLPROTEIN
EVB
DHFR
ketosteroid isomerase
KSI
WHAM
Umbrella Integration
hydrogen transfer
File:
Download thesis15-1.pdf
Committee Members:
Prof Sharon Hammes Schiffer, Dissertation Advisor/Co-Advisor
Prof Sharon Hammes Schiffer, Committee Chair/Co-Chair
James Bernhard Anderson, Committee Member
Philip C. Bevilacqua, Committee Member
James David Kubicki, Committee Member

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