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pro vyhledávání: '"Yaron Pshetitsky"'
Autor:
Netanel Mendelman, Yaron Pshetitsky, Zhenlu Li, Mirco Zerbetto, Matthias Buck, Eva Meirovitch
Publikováno v:
The Journal of Physical Chemistry B. 126:6408-6418
Orientational probability densities
Autor:
Yaron Pshetitsky, Netanel Mendelman, Zhenlu Li, Mirco Zerbetto, Matthias Buck, Eva Meirovitch
Amide-bond equilibrium probability density
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b539d94561922c88feb41d2da7804191
http://hdl.handle.net/11577/3456561
http://hdl.handle.net/11577/3456561
Publikováno v:
Journal of the American Chemical Society. 140:16650-16660
In the present study, we address the effect of active site structure and dynamics of different dihydrofolate reductase (DHFR) isoforms on the pKa of the bound substrate 7,8-dihydrofolate, in an attempt to understand possible evolutionary trends. We a
Publikováno v:
Journal of the American Chemical Society. 140(48)
In the present study, we address the effect of active site structure and dynamics of different dihydrofolate reductase (DHFR) isoforms on the p K
Autor:
Dan Thomas Major, Christopher M. Cheatum, Yaron Pshetitsky, Amnon Kohen, Anil R. Mhashal, Reuven Eitan
Publikováno v:
The journal of physical chemistry. B. 122(33)
Dihydrofolate reductase (DHFR) catalyzes the reduction of dihydrofolate (DHF) to tetrahydrofolate (THF) in the presence of NADPH. The key hydride transfer step in the reaction is facilitated by a combination of enzyme active site preorganization and
Publikováno v:
Journal of chemical theory and computation. 12(10)
The coenzyme nicotinamide adenine dinucleotide (NAD+) and its reduced form (NADH) play ubiquitous roles as oxidizing and reducing agents in nature. The binding, and possibly the chemical redox step, of NAD+/NADH may be influenced by the cofactor conf