Please use this identifier to cite or link to this item:
Type: Artigo de evento
Title: A Priori Molecular Descriptors In Qsar: A Case Of Hiv-1 Protease Inhibitors: Ii. Molecular Graphics And Modeling
Author: Kiralj R.
Ferreira M.M.C.
Abstract: Molecular graphics and modeling methods illustrated the chemical background of the a priori approach from part I, and visualized steric and electronic enzyme-inhibitor relationships at qualitative and quantitative level for 34 and its derivatives. The enzyme-inhibitor electron density overlap occurs at 1.5-5.5Å cut-off distance, beyond van der Waals radii. Derivatives of 34 exhibit linear relationships between biological activity, molecular size and number of intermolecular interactions. © 2002 Elsevier Science Inc. All rights reserved.
Rights: fechado
Identifier DOI: 10.1016/S1093-3263(02)00202-4
Date Issue: 2003
Appears in Collections:Unicamp - Artigos e Outros Documentos

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