Molecular Dynamics Approaches Estimate the Binding Energy of HIV-1 Integrase Inhibitors and Correlate withIn VitroActivity
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Title
Molecular Dynamics Approaches Estimate the Binding Energy of HIV-1 Integrase Inhibitors and Correlate withIn VitroActivity
Authors
Keywords
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Journal
ANTIMICROBIAL AGENTS AND CHEMOTHERAPY
Volume 56, Issue 1, Pages 411-419
Publisher
American Society for Microbiology
Online
2011-10-29
DOI
10.1128/aac.05292-11
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- (2011) Mathieu Métifiot et al. AIDS
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- (2011) S. Hare et al. MOLECULAR PHARMACOLOGY
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- (2010) Mathieu Métifiot et al. BIOCHEMISTRY
- Crystal structure of the HIV-1 integrase core domain in complex with sucrose reveals details of an allosteric inhibitory binding site
- (2010) Jerome Wielens et al. FEBS LETTERS
- Genotypic/phenotypic patterns of HIV-1 integrase resistance to raltegravir
- (2010) Filippo Canducci et al. JOURNAL OF ANTIMICROBIAL CHEMOTHERAPY
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- (2010) T. Bar-Magen et al. JOURNAL OF VIROLOGY
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- The mechanism of retroviral integration from X-ray structures of its key intermediates
- (2010) Goedele N. Maertens et al. NATURE
- Structure-based modeling of the functional HIV-1 intasome and its inhibition
- (2010) L. Krishnan et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Molecular mechanisms of retroviral integrase inhibition and the evolution of viral resistance
- (2010) S. Hare et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Resistance to Integrase Inhibitors
- (2010) Mathieu Métifiot et al. Viruses-Basel
- Potent Inhibitors of HIV-1 Integrase Display a Two-Step, Slow-Binding Inhibition Mechanism Which Is Absent in a Drug-Resistant T66I/M154I Mutant
- (2009) Edward P. Garvey et al. BIOCHEMISTRY
- Analysis of binding parameters of HIV-1 integrase inhibitors: Correlates of drug inhibition and resistance
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- Examination of halogen substituent effects on HIV-1 integrase inhibitors derived from 2,3-dihydro-6,7-dihydroxy-1H-isoindol-1-ones and 4,5-dihydroxy-1H-isoindole-1,3(2H)-diones
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- HIV-1 IN Inhibitors: 2010 Update and Perspectives
- (2009) Christophe Marchand et al. CURRENT TOPICS IN MEDICINAL CHEMISTRY
- Retroviral integrase superfamily: the structural perspective
- (2009) Marcin Nowotny EMBO REPORTS
- CHARMM: The biomolecular simulation program
- (2009) B. R. Brooks et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- A Novel Co-Crystal Structure Affords the Design of Gain-of-Function Lentiviral Integrase Mutants in the Presence of Modified PSIP1/LEDGF/p75
- (2009) Stephen Hare et al. PLoS Pathogens
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- (2009) Stephen Hare et al. PLoS Pathogens
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- (2008) Stefania Ferro et al. JOURNAL OF MEDICINAL CHEMISTRY
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