(Q27860652)

English

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

scientific article (publication date: 30 January 2010)

In more languages

default for all languages

No label defined

No description defined

edit

Statements

instance of

scholarly article

0 references

title

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

0 references

main subject

hardware multithreading

1 reference

Oleg Trott

1

0 references

Arthur J Olson

series ordinal

2

0 references

publication date

30 January 2010

0 references

published in

Journal of Computational Chemistry

0 references

volume

31

0 references

issue

2

0 references

page(s)

455-61

0 references

cites work

Optimization by Simulated Annealing

1 reference

stated in

PubMed Central

reference URL

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3041641

retrieved

20 March 2017

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

1 reference

stated in

PubMed Central

reference URL

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3041641

retrieved

7 April 2017

Empirical entropic contributions in computational docking: evaluation in APS reductase complexes.

1 reference

stated in

PubMed Central

reference URL

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3041641

retrieved

29 September 2017

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

1 reference

stated in

PubMed Central

reference URL

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3041641

retrieved

29 September 2017

Ligand configurational entropy and protein binding

1 reference

stated in

PubMed Central

reference URL

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3041641

retrieved

29 September 2017

Calculation of protein-ligand binding affinities.

1 reference

stated in

PubMed Central

reference URL

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3041641

retrieved

29 September 2017

Protein-ligand docking: current status and future challenges

1 reference

stated in

PubMed Central

reference URL

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3041641

retrieved

29 September 2017

The PDBbind database: methodologies and updates

1 reference

stated in

PubMed Central

reference URL

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3041641

retrieved

29 September 2017

The PDBbind database: collection of binding affinities for protein-ligand complexes with known three-dimensional structures

1 reference

stated in

PubMed Central

reference URL

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3041641

retrieved

29 September 2017

Comparative study of several algorithms for flexible ligand docking

1 reference

stated in

PubMed Central

reference URL

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3041641

retrieved

29 September 2017

Further development and validation of empirical scoring functions for structure-based binding affinity prediction

1 reference

stated in

PubMed Central

reference URL

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3041641

retrieved

29 September 2017

The statistical-thermodynamic basis for computation of binding affinities: a critical review

1 reference

stated in

PubMed Central

reference URL

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3041641

retrieved

29 September 2017

Scoring noncovalent protein-ligand interactions: a continuous differentiable function tuned to compute binding affinities

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/19499576

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identifiers

DOI

10.1002/JCC.21334

1 reference

stated in

Consolidated OpenCitations Corpus – April 2017

OpenCitations bibliographic resource ID

184045

DBLP publication ID

journals/jcc/TrottO10

1 reference

stated in

DBLP Dataset 2021-01-02

retrieved

28 January 2021

OpenCitations bibliographic resource ID

184045

1 reference

stated in

Consolidated OpenCitations Corpus – April 2017

OpenCitations bibliographic resource ID

1 reference

Consolidated OpenCitations Corpus – April 2017

OpenCitations bibliographic resource ID

184045

PubMed publication ID

19499576

1 reference

stated in

Consolidated OpenCitations Corpus – April 2017

OpenCitations bibliographic resource ID

184045

ResearchGate publication ID

26269666

0 references

(Q27860652)

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

Statements

Identifiers

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)