QM/MM free-energy simulations of reaction in Serratia marcescens Chitinase B reveal the protonation state of Asp142 and the critical role of Tyr214. (2014)
Attributed to:
The UK High-End Computing Consortium for Biomolecular Simulation
funded by
EPSRC
Abstract
No abstract provided
Bibliographic Information
Digital Object Identifier: http://dx.doi.org/10.1021/jp500652x
PubMed Identifier: 24730355
Publication URI: http://europepmc.org/abstract/MED/24730355
Type: Journal Article/Review
Volume: 118
Parent Publication: The journal of physical chemistry. B
Issue: 18
ISSN: 1520-5207