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 (Q24646227)

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English	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	scientific article

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scholarly article

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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 (English)

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molecular dynamics simulation

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drug resistance

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based on heuristic

inferred from title

J. Andrew McCammon

3

object named as

J Andrew McCammon

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author name string

Alexander L Perryman

1

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Jung-Hsin Lin

2

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language of work or name

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publication date

April 2004

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Protein Science

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13

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4

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1108-23

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The Protein Data Bank

1 reference

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7 April 2017

Combining mutations in HIV-1 protease to understand mechanisms of resistance

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7 April 2017

Anisotropic dynamics of the JE-2147-HIV protease complex: drug resistance and thermodynamic binding mode examined in a 1.09 A structure

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7 April 2017

Structural implications of drug-resistant mutants of HIV-1 protease: high-resolution crystal structures of the mutant protease/substrate analogue complexes

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Domain flexibility in retroviral proteases: structural implications for drug resistant mutations

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7 April 2017

Molecular basis of HIV-1 protease drug resistance: structural analysis of mutant proteases complexed with cyclic urea inhibitors

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

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7 April 2017

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7 April 2017

A solution NMR study of the binding kinetics and the internal dynamics of an HIV-1 protease-substrate complex

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27 September 2017

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

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27 September 2017

Overcoming drug resistance in HIV-1 chemotherapy: the binding thermodynamics of Amprenavir and TMC-126 to wild-type and drug-resistant mutants of the HIV-1 protease

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27 September 2017

Rapid structural fluctuations of the free HIV protease flaps in solution: relationship to crystal structures and comparison with predictions of dynamics calculations

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27 September 2017

Computational study of protein specificity: the molecular basis of HIV-1 protease drug resistance

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27 September 2017

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

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27 September 2017

Positioning hydrogen atoms by optimizing hydrogen-bond networks in protein structures

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27 September 2017

Reaction path and free energy calculations of the transition between alternate conformations of HIV-1 protease

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30 May 2018

Molecular basis of resistance to HIV-1 protease inhibition: a plausible hypothesis.

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30 May 2018

Human immunodeficiency virus. Mutations in the viral protease that confer resistance to saquinavir increase the dissociation rate constant of the protease-saquinavir complex

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30 May 2018

The relaxed complex method: Accommodating receptor flexibility for drug design with an improved scoring scheme

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28 November 2018

Antiretroviral-drug resistance among patients recently infected with HIV.

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28 November 2018

Computational drug design accommodating receptor flexibility: the relaxed complex scheme

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28 November 2018

Resistance to HIV protease inhibitors: a comparison of enzyme inhibition and antiviral potency

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28 November 2018

Flap opening in HIV-1 protease simulated by 'activated' molecular dynamics.

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28 November 2018

Cooperative fluctuations of unliganded and substrate-bound HIV-1 protease: a structure-based analysis on a variety of conformations from crystallography and molecular dynamics simulations

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12 December 2020

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Relation between sequence and structure of HIV-1 protease inhibitor complexes: a model system for the analysis of protein flexibility

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12 December 2020

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12 December 2020

based on heuristic

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

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https://pubmed.ncbi.nlm.nih.gov/15044738

12 December 2020

based on heuristic

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Role of conformational fluctuations in the enzymatic reaction of HIV-1 protease

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https://pubmed.ncbi.nlm.nih.gov/15044738

12 December 2020

based on heuristic

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Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

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7 January 2021

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Comparison of simple potential functions for simulating liquid water

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Identifiers

10.1110/PS.03468904

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OpenCitations bibliographic resource ID

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Consolidated OpenCitations Corpus – April 2017

OpenCitations bibliographic resource ID

PubMed publication ID

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OpenCitations bibliographic resource ID

ResearchGate publication ID

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