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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