(Q43727902)

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Study on the interactions between diketo-acid inhibitors and prototype foamy virus integrase-DNA complex via molecular docking and comparative molecular dynamics simulation methods.

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Europe PubMed Central

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11 February 2020

Study on the interactions between diketo-acid inhibitors and prototype foamy virus integrase-DNA complex via molecular docking and comparative molecular dynamics simulation methods (English)

1 reference

Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22913375%20AND%20SRC:MED&resulttype=core&format=json

11 February 2020

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11 February 2020

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11 February 2020

author name string

Jian-Ping Hu

1

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Europe PubMed Central

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11 February 2020

Hong-Qiu He

2

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11 February 2020

Guo-Feng Sun

4

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11 February 2020

Yuan-Qin Zhang

5

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11 February 2020

Jing Fan

6

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11 February 2020

publication date

22 August 2012

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11 February 2020

Journal of Biomolecular Structure and Dynamics

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11 February 2020

31

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11 February 2020

7

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11 February 2020

734-747

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11 February 2020

Catalytically-active complex of HIV-1 integrase with a viral DNA substrate binds anti-integrase drugs

1 reference

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21 January 2018

Computational model of the HIV-1 subtype A V3 loop: study on the conformational mobility for structure-based anti-AIDS drug design

1 reference

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21 January 2018

Induced-fit docking approach provides insight into the binding mode and mechanism of action of HIV-1 integrase inhibitors.

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2012.709458

21 January 2018

Tn5 transposase as a useful platform to simulate HIV-1 integrase inhibitor binding mode

1 reference

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Denaturation of HIV-1 protease (PR) monomer by acetic acid: mechanistic and trajectory insights from molecular dynamics simulations and NMR.

1 reference

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21 January 2018

Domains of the integrase protein of human immunodeficiency virus type 1 responsible for polynucleotidyl transfer and zinc binding

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Effects of pH and Temperature on the Structural and Thermodynamic Character of a-syn12 Peptide in Aqueous Solution

1 reference

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21 January 2018

A comparative study of two different force fields on structural and thermodynamics character of H1 peptide via molecular dynamics simulations.

1 reference

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21 January 2018

Modeling, analysis, and validation of a novel HIV integrase structure provide insights into the binding modes of potent integrase inhibitors

1 reference

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21 January 2018

Reversal of Integration and DNA Splicing Mediated by Integrase of Human Immunodeficiency Virus

1 reference

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A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

1 reference

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21 January 2018

A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations

1 reference

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21 January 2018

The membrane-proximal fusion domain of HIV-1 GP41 reveals sequence-specific and fine-tuning mechanism of membrane binding.

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2012.709458

21 January 2018

HIV-1 integrase inhibitors that compete with the target DNA substrate define a unique strand transfer conformation for integrase

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2012.709458

21 January 2018

Sequence specificity of viral end DNA binding by HIV-1 integrase reveals critical regions for protein-DNA interaction

1 reference

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21 January 2018

MMTSB Tool Set: enhanced sampling and multiscale modeling methods for applications in structural biology.

1 reference

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21 January 2018

Docking studies on a new human immunodeficiency virus integrase-Mg-DNA complex: phenyl ring exploration and synthesis of 1H-benzylindole derivatives through fluorine substitutions

1 reference

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21 January 2018

HIV nuclear import is governed by the phosphotyrosine-mediated binding of matrix to the core domain of integrase

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2012.709458

21 January 2018

Structure of the HIV-1 integrase catalytic domain complexed with an inhibitor: a platform for antiviral drug design

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2012.709458

21 January 2018

Control of HIV through the inhibition of HIV-1 integrase: a medicinal chemistry perspective.

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2012.709458

21 January 2018

Retroviral intasome assembly and inhibition of DNA strand transfer

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2012.709458

21 January 2018

Inhibitors of strand transfer that prevent integration and inhibit HIV-1 replication in cells

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2012.709458

21 January 2018

Binding modes of diketo-acid inhibitors of HIV-1 integrase: a comparative molecular dynamics simulation study

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2012.709458

21 January 2018

Prediction of the binding mode between BMS-378806 and HIV-1 gp120 by docking and molecular dynamics simulation.

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2012.709458

21 January 2018

Large-scale conformational dynamics of the HIV-1 integrase core domain and its catalytic loop mutants

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2012.709458

21 January 2018

Zn2+ promotes the self-association of human immunodeficiency virus type-1 integrase in vitro

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2012.709458

21 January 2018

Retroviral DNA integration--mechanism and consequences

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2012.709458

21 January 2018

Insight into the inhibitory mechanism and binding mode between D77 and HIV-1 integrase by molecular modeling methods

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2012.709458

21 January 2018

Genetic analyses of DNA-binding mutants in the catalytic core domain of human immunodeficiency virus type 1 integrase

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2012.709458

21 January 2018

Resistance to HIV-1 integrase inhibitors: A structural perspective

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2012.709458

21 January 2018

Structure activity of 3-aryl-1,3-diketo-containing compounds as HIV-1 integrase inhibitors.

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2012.709458

21 January 2018

Reconstructing potentials of mean force from short steered molecular dynamics simulations of Vpu from HIV-1.

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2012.709458

21 January 2018

A dynamic model of HIV integrase inhibition and drug resistance

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2012.709458

21 January 2018

Bacterial transposases and retroviral integrases.

1 reference

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21 January 2018

Structure-based design of a novel peptide inhibitor of HIV-1 integrase: a computer modeling approach

1 reference

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

1 reference

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21 January 2018

Molecular dynamics of HIV1-integrase in complex with 93del - a structural perspective on the mechanism of inhibition.

1 reference

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21 January 2018

Discovery of raltegravir, a potent, selective orally bioavailable HIV-integrase inhibitor for the treatment of HIV-AIDS infection

1 reference

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21 January 2018

Functional and structural characterization of the integrase from the prototype foamy virus

1 reference

https://api.crossref.org/works/10.1080%2F07391102.2012.709458

21 January 2018

Identification of the catalytic and DNA-binding region of the human immunodeficiency virus type I integrase protein

1 reference

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21 January 2018

4-Aryl-2,4-dioxobutanoic acid inhibitors of HIV-1 integrase and viral replication in cells

1 reference

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21 January 2018

Development and testing of a general amber force field

1 reference

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21 January 2018

An all atom force field for simulations of proteins and nucleic acids

1 reference

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21 January 2018

Viral entry into the nucleus

1 reference

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Comparison of simple potential functions for simulating liquid water

1 reference

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21 January 2018

Azido-containing aryl beta-diketo acid HIV-1 integrase inhibitors

1 reference

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21 January 2018

Zinc folds the N-terminal domain of HIV-1 integrase, promotes multimerization, and enhances catalytic activity

1 reference

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21 January 2018

Binding Mode Prediction of Strand Transfer HIV-1 Integrase Inhibitors Using Tn5 Transposase as a Plausible Surrogate Model for HIV-1 Integrase

1 reference

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21 January 2018

Identifiers

10.1080/07391102.2012.709458

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22913375%20AND%20SRC:MED&resulttype=core&format=json

11 February 2020

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:22913375%20AND%20SRC:MED&resulttype=core&format=json

11 February 2020

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