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