(Q34180538)

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Molecular dynamics studies of the wild-type and double mutant HIV-1 integrase complexed with the 5CITEP inhibitor: mechanism for inhibition and drug resistance

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scholarly article

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Europe PubMed Central

31 July 2017

Molecular dynamics studies of the wild-type and double mutant HIV-1 integrase complexed with the 5CITEP inhibitor: mechanism for inhibition and drug resistance (English)

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Europe PubMed Central

31 July 2017

3

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Alba Chimirri

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author name string

Maria L Barreca

1

1 reference

Europe PubMed Central

31 July 2017

Keun Woo Lee

2

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Europe PubMed Central

31 July 2017

James M Briggs

4

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Europe PubMed Central

31 July 2017

language of work or name

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publication date

1 March 2003

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Europe PubMed Central

31 July 2017

Biophysical Journal

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Europe PubMed Central

31 July 2017

84

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Europe PubMed Central

31 July 2017

3

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Europe PubMed Central

31 July 2017

1450-1463

1 reference

Europe PubMed Central

31 July 2017

Identification of a small-molecule binding site at the dimer interface of the HIV integrase catalytic domain

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302719

5 July 2018

Novel compounds in preclinical/early clinical development for the treatment of HIV infections

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302719

5 July 2018

Developing a dynamic pharmacophore model for HIV-1 integrase.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302719

5 July 2018

Identification of critical amino acid residues in human immunodeficiency virus type 1 IN required for efficient proviral DNA formation at steps prior to integration in dividing and nondividing cells.

1 reference

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5 July 2018

Crystal structure of an active two-domain derivative of Rous sarcoma virus integrase

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302719

5 July 2018

X-ray structure of simian immunodeficiency virus integrase containing the core and C-terminal domain (residues 50-293)--an initial glance of the viral DNA binding platform

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302719

5 July 2018

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

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302719

5 July 2018

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

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302719

5 July 2018

Refined solution structure of the C-terminal DNA-binding domain of human immunovirus-1 integrase

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302719

5 July 2018

The mobility of an HIV-1 integrase active site loop is correlated with catalytic activity

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302719

5 July 2018

HIV-1 integrase: structural organization, conformational changes, and catalysis

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302719

5 July 2018

Crystal structures of catalytic core domains of retroviral integrases and role of divalent cations in enzymatic activity.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302719

5 July 2018

Molecular dynamics studies on the HIV-1 integrase catalytic domain

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302719

5 July 2018

Brownian and essential dynamics studies of the HIV-1 integrase catalytic domain

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302719

5 July 2018

Solution structure of the His12 --> Cys mutant of the N-terminal zinc binding domain of HIV-1 integrase complexed to cadmium

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302719

5 July 2018

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

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302719

5 July 2018

Crystal structures of the catalytic domain of HIV-1 integrase free and complexed with its metal cofactor: high level of similarity of the active site with other viral integrases

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302719

5 July 2018

Three new structures of the core domain of HIV-1 integrase: an active site that binds magnesium

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302719

5 July 2018

Critical contacts between HIV-1 integrase and viral DNA identified by structure-based analysis and photo-crosslinking

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302719

5 July 2018

Solution structure of the N-terminal zinc binding domain of HIV-1 integrase

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302719

5 July 2018

Binding of different divalent cations to the active site of avian sarcoma virus integrase and their effects on enzymatic activity

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302719

5 July 2018

The catalytic domain of human immunodeficiency virus integrase: ordered active site in the F185H mutant

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302719

5 July 2018

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

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302719

5 July 2018

MOLMOL: a program for display and analysis of macromolecular structures

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302719

5 July 2018

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

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302719

5 July 2018

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

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302719

5 July 2018

Identification of amino acids in HIV-2 integrase involved in site-specific hydrolysis and alcoholysis of viral DNA termini

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302719

5 July 2018

Satisfying hydrogen bonding potential in proteins

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302719

5 July 2018

Essential dynamics of proteins

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302719

5 July 2018

The core and carboxyl-terminal domains of the integrase protein of human immunodeficiency virus type 1 each contribute to nonspecific DNA binding.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302719

5 July 2018

Crystal structure of the catalytic domain of HIV-1 integrase: similarity to other polynucleotidyl transferases

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302719

5 July 2018

Bacterial transposases and retroviral integrases.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302719

5 July 2018

Solution structure of the DNA binding domain of HIV-1 integrase

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302719

5 July 2018

The DNA-binding domain of HIV-1 integrase has an SH3-like fold

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302719

5 July 2018

Dictionary of protein secondary structure: pattern recognition of hydrogen-bonded and geometrical features

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302719

5 July 2018

A nucleoprotein complex mediates the integration of retroviral DNA.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302719

5 July 2018

WHAT IF: a molecular modeling and drug design program

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302719

5 July 2018

Structural basis for the 3'-5' exonuclease activity of Escherichia coli DNA polymerase I: a two metal ion mechanism

2 references

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302719

5 July 2018

https://api.crossref.org/works/10.1016%2FS0006-3495%2803%2974958-3

7 January 2021

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

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302719

5 July 2018

Active nuclear import of human immunodeficiency virus type 1 preintegration complexes

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302719

5 July 2018

Identification of conserved amino acid residues critical for human immunodeficiency virus type 1 integrase function in vitro

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302719

5 July 2018

Residues critical for retroviral integrative recombination in a region that is highly conserved among retroviral/retrotransposon integrases and bacterial insertion sequence transposases

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302719

5 July 2018

Ordered water and ligand mobility in the HIV-1 integrase-5CITEP complex: a molecular dynamics study.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302719

28 October 2018

Investigations on human immunodeficiency virus type 1 integrase/DNA binding interactions via molecular dynamics and electrostatics calculations.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302719

28 October 2018

Photo-cross-linking studies suggest a model for the architecture of an active human immunodeficiency virus type 1 integrase-DNA complex

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302719

28 October 2018

Mapping features of HIV-1 integrase near selected sites on viral and target DNA molecules in an active enzyme-DNA complex by photo-cross-linking.

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302719

28 October 2018

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

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302719

28 October 2018

ICM?A new method for protein modeling and design: Applications to docking and structure prediction from the distorted native conformation

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https://api.crossref.org/works/10.1016%2FS0006-3495%2803%2974958-3

7 January 2021

The missing term in effective pair potentials

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7 January 2021

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

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https://api.crossref.org/works/10.1016%2FS0006-3495%2803%2974958-3

7 January 2021

HIV-1 DNA integration: Mechanism of viral DNA cleavage and DNA strand transfer

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2803%2974958-3

7 January 2021

Electrostatics and diffusion of molecules in solution: simulations with the University of Houston Brownian Dynamics program

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https://api.crossref.org/works/10.1016%2FS0006-3495%2803%2974958-3

7 January 2021

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

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https://api.crossref.org/works/10.1016%2FS0006-3495%2803%2974958-3

7 January 2021

A smooth particle mesh Ewald method

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https://api.crossref.org/works/10.1016%2FS0006-3495%2803%2974958-3

7 January 2021

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10.1016/S0006-3495(03)74958-3

1 reference

Europe PubMed Central

31 July 2017

1 reference

Europe PubMed Central

31 July 2017

1 reference

Europe PubMed Central

31 July 2017

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