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Evaluating the Performance of Water Models with Host-Guest Force Fields in Binding Enthalpy Calculations for Cucurbit[7]uril-Guest Systems. (2021)

First Author: Çinaroglu SS

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/acs.jpcb.0c11383

PubMed Identifier: 33538161

Publication URI: http://europepmc.org/abstract/MED/33538161

Type: Journal Article/Review

Volume: 125

Parent Publication: The journal of physical chemistry. B

Issue: 6

ISSN: 1520-5207