High-level QM/MM calculations support the concerted mechanism for Michael addition and covalent complex formation in thymidylate synthase. (2015)
Attributed to:
Combined quantum mechanics/molecular mechanics (QM/MM) Monte Carlo free energy simulations: a feasibility study
funded by
EPSRC
Abstract
No abstract provided
Bibliographic Information
Digital Object Identifier: http://dx.doi.org/10.1021/ct5005033
PubMed Identifier: 26579604
Publication URI: http://europepmc.org/abstract/MED/26579604
Type: Journal Article/Review
Volume: 11
Parent Publication: Journal of chemical theory and computation
Issue: 2
ISSN: 1549-9618