Conformational analysis of synthetic neolignans active against leishmaniasis, using the molecular mechanics method (MM2)

dc.creatorCosta, MCA
dc.creatorTakahata, Y
dc.date1997
dc.dateAPR 15
dc.date2014-12-16T11:35:53Z
dc.date2015-11-26T17:16:14Z
dc.date2014-12-16T11:35:53Z
dc.date2015-11-26T17:16:14Z
dc.date.accessioned2018-03-29T00:04:25Z
dc.date.available2018-03-29T00:04:25Z
dc.identifierJournal Of Computational Chemistry. John Wiley & Sons Inc, v. 18, n. 5, n. 712, n. 721, 1997.
dc.identifier0192-8651
dc.identifierWOS:A1997WQ57500011
dc.identifier10.1002/(SICI)1096-987X(19970415)18:5<712
dc.identifierhttp://www.repositorio.unicamp.br/jspui/handle/REPOSIP/56507
dc.identifierhttp://www.repositorio.unicamp.br/handle/REPOSIP/56507
dc.identifierhttp://repositorio.unicamp.br/jspui/handle/REPOSIP/56507
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/1282233
dc.descriptionConformational analysis of 20 neolignans was performed to determine the most probable conformer that may fit the receptor. The molecular mechanics method (MM2) was employed to construct conformational maps in both a vacuum and a biological environment. Boltzmann's distribution among several local minima was calculated. (C) 1997 by John Wiley & Sons, Inc.
dc.description18
dc.description5
dc.description712
dc.description721
dc.languageen
dc.publisherJohn Wiley & Sons Inc
dc.publisherNew York
dc.relationJournal Of Computational Chemistry
dc.relationJ. Comput. Chem.
dc.rightsfechado
dc.rightshttp://olabout.wiley.com/WileyCDA/Section/id-406071.html
dc.sourceWeb of Science
dc.subjectmolecular mechanics
dc.subjectneolignans
dc.subjectconformational analysis
dc.subjectenvironment effect
dc.subjectactive conformation
dc.titleConformational analysis of synthetic neolignans active against leishmaniasis, using the molecular mechanics method (MM2)
dc.typeArtículos de revistas


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