✦ LIBER ✦

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

✍ Scribed by Costa, Maria Cristina Andreazza; Takahata, Yuji

Publisher: John Wiley and Sons
Year: 1997
Tongue: English
Weight: 298 KB
Volume: 18
Category: Article
ISSN: 0192-8651
DOI: 10.1002/(sici)1096-987x(19970415)18:5<712::aid-jcc11>3.0.co;2-e

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✦ Synopsis

Conformational analysis of 20 neolignans was performed to determine the most probable conformer that may fit the receptor. The molecular Ž . 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.