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|Type:||Artigo de evento|
|Title:||A Priori Molecular Descriptors In Qsar: A Case Of Hiv-1 Protease Inhibitors: Ii. Molecular Graphics And Modeling|
|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.|
|Appears in Collections:||Unicamp - Artigos e Outros Documentos|
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