Solution structure of HIV-1 protease flaps probed by comparison of molecular dynamics simulation ensembles and EPR experiments (Q34011691)

30 July 2017

title

Solution structure of HIV-1 protease flaps probed by comparison of molecular dynamics simulation ensembles and EPR experiments (English)

1 reference

30 July 2017

1 reference

Fangyu Ding

1

1 reference

30 July 2017

Melinda Layten

series ordinal

2

1 reference

30 July 2017

Carlos Simmerling

series ordinal

3

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30 July 2017

language of work or name

English

0 references

publication date

15 May 2008

1 reference

Journal of the American Chemical Society

30 July 2017

published in

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30 July 2017

volume

130

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30 July 2017

issue

23

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30 July 2017

page(s)

7184-7185

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Targeting structural flexibility in HIV-1 protease inhibitor binding

30 July 2017

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3390170

The open structure of a multi-drug-resistant HIV-1 protease is stabilized by crystal packing contacts

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3390170

Comparison of multiple Amber force fields and development of improved protein backbone parameters

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3390170

The survival benefits of AIDS treatment in the United States

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3390170

HIV-1 protease flaps spontaneously close to the correct structure in simulations following manual placement of an inhibitor into the open state

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3390170

HIV-1 protease flaps spontaneously open and reclose in molecular dynamics simulations

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3390170

"Wide-open" 1.3 A structure of a multidrug-resistant HIV-1 protease as a drug target

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3390170

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

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3390170

Structure of HOE/BAY 793 complexed to human immunodeficiency virus (HIV-1) protease in two different crystal forms--structure/function relationship and influence of crystal packing

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3390170

Conserved folding in retroviral proteases: crystal structure of a synthetic HIV-1 protease

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3390170

Domain communication in the dynamical structure of human immunodeficiency virus 1 protease

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3390170

HIVdb: a database of the structures of human immunodeficiency virus protease

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3390170

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

29 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3390170

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

29 October 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/18479129

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Interflap distances in HIV-1 protease determined by pulsed EPR measurements

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/18479129

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

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

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/18479129

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1021/JA800893D

1 reference

30 July 2017

1 reference

30 July 2017

1 reference