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Projector-Based Embedding Eliminates Density Functional Dependence for QM/MM Calculations of Reactions in Enzymes and Solution. (2019)

First Author: Ranaghan KE
Attributed to:  Biocatalysis & Biotransformation: A 5th Theme for the National Catalysis Hub funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/acs.jcim.8b00940

PubMed Identifier: 30794388

Publication URI: http://europepmc.org/abstract/MED/30794388

Type: Journal Article/Review

Volume: 59

Parent Publication: Journal of chemical information and modeling

Issue: 5

ISSN: 1549-9596