(Q52024015)

20 April 2018

title

A priori molecular descriptors in QSAR: a case of HIV-1 protease inhibitors. I. The chemometric approach. (English)

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20 April 2018

author name string

Rudolf Kiralj

series ordinal

1

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20 April 2018

Márcia M C Ferreira

series ordinal

2

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20 April 2018

publication date

1 March 2003

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20 April 2018

Journal of Molecular Graphics & Modelling

published in

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20 April 2018

volume

21

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20 April 2018

issue

5

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20 April 2018

page(s)

435-448

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20 April 2018

Using probabilistic neural networks to model the toxicity of chemicals to the fathead minnow (Pimephales promelas): a study based on 865 compounds

cites work

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7 January 2021

A priori prediction of activity for HIV-1 protease inhibitors employing energy minimization in the active site.

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7 January 2021

Simulation of alternative binding modes in a structure-based QSAR study of HIV-1 protease inhibitors

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7 January 2021

Comparative binding energy analysis of HIV-1 protease inhibitors: incorporation of solvent effects and validation as a powerful tool in receptor-based drug design.

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7 January 2021

Inhibitors of HIV-1 protease: a major success of structure-assisted drug design

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7 January 2021

Basic terminology of stereochemistry (IUPAC Recommendations 1996)

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7 January 2021

HIV-protease inhibitors

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7 January 2021

Studies of human immunodeficiency virus type 1 (HIV-1) protease inhibitors. III. Structure-activity relationship of HIV-1 protease inhibitors containing cyclohexylalanylalanine hydroxyethylene dipeptide isostere

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7 January 2021

Occluded molecular surface analysis of ligand-macromolecule contacts: application to HIV-1 protease-inhibitor complexes.

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7 January 2021

HIV-1 protease inhibitors: enthalpic versus entropic optimization of the binding affinity.

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7 January 2021

Nonpeptidal P2 ligands for HIV protease inhibitors: structure-based design, synthesis, and biological evaluation

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7 January 2021

An orally bioavailable HIV-1 protease inhibitor containing an imidazole-derived peptide bond replacement: crystallographic and pharmacokinetic analysis

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7 January 2021

Development and validation of a genetic algorithm for flexible docking

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7 January 2021

Comparative Quantitative Structureminus signActivity Relationship Studies on Anti-HIV Drugs

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10.1016/S1093-3263(02)00201-2

Identifiers

DOI

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20 April 2018

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20 April 2018