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Combined quantum mechanics/molecular mechanics (QM/MM) simulations for protein-ligand complexes: free energies of binding of water molecules in influenza neuraminidase. (2015)

First Author: Woods CJ

Attributed to: Adaptive Multi-Resolution Massively-Multicore Hybrid Dynamics funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1021/jp506413j

PubMed Identifier: 25340313

Publication URI: http://europepmc.org/abstract/MED/25340313

Type: Journal Article/Review

Volume: 119

Parent Publication: The journal of physical chemistry. B

Issue: 3

ISSN: 1520-5207