Insights into amprenavir resistance in E35D HIV-1 protease mutation from molecular dynamics and binding free-energy calculations. (Q42689269)

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25 December 2019

title

Insights into amprenavir resistance in E35D HIV-1 protease mutation from molecular dynamics and binding free-energy calculations (English)

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25 December 2019

4

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25 December 2019

Anselm H. C. Horn

series ordinal

2

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25 December 2019

author name string

Heike Meiselbach

series ordinal

1

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25 December 2019

Thomas Harrer

series ordinal

3

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25 December 2019

publication date

23 June 2006

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Journal of Molecular Modeling

25 December 2019

published in

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25 December 2019

volume

13

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25 December 2019

issue

2

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25 December 2019

page(s)

297-304

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Curling of flap tips in HIV-1 protease as a mechanism for substrate entry and tolerance of drug resistance

25 December 2019

cites work

1 reference

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Simultaneous prediction of binding capacity for multiple molecules of the HLA B44 supertype

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Transmission and accumulation of CTL escape variants drive negative associations between HIV polymorphisms and HLA.

21 January 2018

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Development and testing of a general amber force field

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A modified version of the Cornell et al. force field with improved sugar pucker phases and helical repeat

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12 December 2020

Amprenavir or fosamprenavir plus ritonavir in HIV infection: pharmacology, efficacy and tolerability profile.

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12 December 2020

Viracept (Nelfinavir Mesylate, AG1343): A Potent, Orally Bioavailable Inhibitor of HIV-1 Protease

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12 December 2020

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12 December 2020

Genotypic inhibitory quotient as predictor of virological response to ritonavir-amprenavir in human immunodeficiency virus type 1 protease inhibitor-experienced patients

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12 December 2020

Structure of complex of synthetic HIV-1 protease with a substrate-based inhibitor at 2.3 A resolution

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12 December 2020

Molecular Dynamics Simulations of HIV-1 Protease Suggest Different Mechanisms Contributing to Drug Resistance.

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12 December 2020

Evidence of HIV-1 adaptation to HLA-restricted immune responses at a population level

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12 December 2020

Efficiency of a second-generation HIV-1 protease inhibitor studied by molecular dynamics and absolute binding free energy calculations.

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12 December 2020

HIV evolution: CTL escape mutation and reversion after transmission

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12 December 2020

Molecular targets for AIDS therapy

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12 December 2020

CD8+ T lymphocyte responses target functionally important regions of Protease and Integrase in HIV-1 infected subjects

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12 December 2020

Human immunodeficiency virus 1 protease expressed in Escherichia coli behaves as a dimeric aspartic protease

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12 December 2020

Flap opening and dimer-interface flexibility in the free and inhibitor-bound HIV protease, and their implications for function

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12 December 2020

The three-dimensional structure of the aspartyl protease from the HIV-1 isolate BRU

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12 December 2020

Drug resistance in HIV-1 protease: Flexibility-assisted mechanism of compensatory mutations

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SWISS‐MODEL and the Swiss‐Pdb Viewer: An environment for comparative protein modeling

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12 December 2020

HIV-1 protease molecular dynamics of a wild-type and of the V82F/I84V mutant: possible contributions to drug resistance and a potential new target site for drugs

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12 December 2020

Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum models

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12 December 2020

Resistant mechanism against nelfinavir of human immunodeficiency virus type 1 proteases

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Identifiers

DOI

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25 December 2019

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