Affinity Calculations of Cyclodextrin Host-Guest Complexes: Assessment of Strengths and Weaknesses of End-Point Free Energy Methods

dc.contributor.author	Suárez Rodríguez, Dimas
dc.contributor.author	Díaz Fernández, Natalia
dc.date.accessioned	2019-08-21T07:33:40Z
dc.date.available	2019-08-21T07:33:40Z
dc.date.issued	2019
dc.identifier.citation	Journal of Chemical Information and Modeling, 59(1), p. 421-440 (2019); doi:10.1021/acs.jcim.8b00805
dc.identifier.issn	1549-9596
dc.identifier.uri	http://hdl.handle.net/10651/52046
dc.description.sponsorship	This research was supported by the GRUPIN14-049 (FICyT, Spain) grant.
dc.format.extent	p. 421-440
dc.language.iso	eng
dc.relation.ispartof	Journal of Chemical Information and Modeling
dc.rights	© 2018 American Chemical Society
dc.source	Scopus
dc.source.uri	https://www.scopus.com/inward/record.uri?eid=2-s2.0-85060049918&doi=10.1021%2facs.jcim.8b00805&partnerID=40&md5=401abe68938364a3f0e8bff3c2e72133
dc.title	Affinity Calculations of Cyclodextrin Host-Guest Complexes: Assessment of Strengths and Weaknesses of End-Point Free Energy Methods
dc.type	journal article
dc.identifier.doi	10.1021/acs.jcim.8b00805
dc.relation.projectID	GRUPIN14-049
dc.relation.publisherversion	http://dx.doi.org/10.1021/acs.jcim.8b00805
dc.rights.accessRights	open access
dc.type.hasVersion	AM

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