The purpose of this project was to develop and apply large-scale computer simulation methods to enzyme reactions and protein dynamics. New approaches based on the QM/MM methodology were formulated. New insights on the reaction mechanisms of triosephosphate isomerase and chorismate mutase were obtained.
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Harvard Univ., Cambridge, MA (United States)
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Cambridge, Massachusetts
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Description
The purpose of this project was to develop and apply large-scale computer simulation methods to enzyme reactions and protein dynamics. New approaches based on the QM/MM methodology were formulated. New insights on the reaction mechanisms of triosephosphate isomerase and chorismate mutase were obtained.
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Office of Scientific & Technical Information Technical Reports
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Office of Scientific and Technical Information (OSTI) is the Department of Energy (DOE) office that collects, preserves, and disseminates DOE-sponsored research and development (R&D) results that are the outcomes of R&D projects or other funded activities at DOE labs and facilities nationwide and grantees at universities and other institutions.
Karplus, Martin.Final progress report for DOE grant [Protein dynamics and biocatalysis],
report,
September 3, 2001;
Cambridge, Massachusetts.
(https://digital.library.unt.edu/ark:/67531/metadc736748/:
accessed April 23, 2024),
University of North Texas Libraries, UNT Digital Library, https://digital.library.unt.edu;
crediting UNT Libraries Government Documents Department.