Virtual screening for HIV protease inhibitors: a comparison of AutoDock 4 and Vina (Q28475016)

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9 February 2020

title

Virtual screening for HIV protease inhibitors: a comparison of AutoDock 4 and Vina (English)

1 reference

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9 February 2020

1 reference

1

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9 February 2020

author name string

Christian Ayeni

series ordinal

2

1 reference

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9 February 2020

Sebastian Breuer

series ordinal

3

1 reference

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9 February 2020

Bruce E Torbett

series ordinal

4

1 reference

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9 February 2020

language of work or name

English

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publication date

4 August 2010

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9 February 2020

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9 February 2020

volume

5

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9 February 2020

issue

8

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9 February 2020

page(s)

e11955

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Creative Commons Attribution 4.0 International

9 February 2020

copyright license

start time

4 August 2010

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

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cites work

AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

1 reference

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The Blue Obelisk-interoperability in chemical informatics

19 March 2017

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DOCK 4.0: Search strategies for automated molecular docking of flexible molecule databases

19 March 2017

1 reference

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19 March 2017

The Protein Data Bank

1 reference

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Development and validation of a genetic algorithm for flexible docking

19 March 2017

1 reference

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The use of differential scanning fluorimetry to detect ligand interactions that promote protein stability

19 March 2017

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A semiempirical free energy force field with charge-based desolvation

7 April 2017

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Thermofluor-based high-throughput stability optimization of proteins for structural studies

7 April 2017

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Python: a programming language for software integration and development

7 April 2017

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Benchmarking sets for molecular docking

7 April 2017

1 reference

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Analysis of HIV wild-type and mutant structures via in silico docking against diverse ligand libraries.

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2915912

Virtual screening of chemical libraries

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2915912

Docking and scoring in virtual screening for drug discovery: methods and applications

29 September 2017

1 reference

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Evaluation of fluorescence-based thermal shift assays for hit identification in drug discovery

29 September 2017

1 reference

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Inhibitors of HIV-1 protease: a major success of structure-assisted drug design

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2915912

A fast flexible docking method using an incremental construction algorithm.

29 September 2017

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PONE.0011955

Evaluating virtual screening methods: good and bad metrics for the "early recognition" problem.

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PONE.0011955

Consideration of molecular weight during compound selection in virtual target-based database screening

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PONE.0011955

Lessons in molecular recognition: the effects of ligand and protein flexibility on molecular docking accuracy.

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PONE.0011955

Automatic generation of 3D-atomic coordinates for organic molecules

21 January 2018

1 reference

https://api.crossref.org/works/10.1371%2FJOURNAL.PONE.0011955

10.1371/JOURNAL.PONE.0011955

21 January 2018

Identifiers

DOI

2 references

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20694138%20AND%20SRC:MED&resulttype=core&format=json

9 February 2020

ADS bibcode

2010PLoSO...511955C

0 references

1 reference

2 references

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20694138%20AND%20SRC:MED&resulttype=core&format=json

9 February 2020

2 references