vSDC: a method to improve early recognition in virtual screening when limited experimental resources are available (Q27902311)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26807156%20AND%20SRC:MED&resulttype=core&format=json

6 March 2020

title

vSDC: a method to improve early recognition in virtual screening when limited experimental resources are available (English)

1 reference

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6 March 2020

1 reference

3

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6 March 2020

Pascal Rigolet

4

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6 March 2020

author name string

Ludovic Chaput

1

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6 March 2020

Juan Martinez-Sanz

2

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6 March 2020

Nicolas Saettel

5

1 reference

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6 March 2020

Liliane Mouawad

6

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6 March 2020

publication date

18 January 2016

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26807156%20AND%20SRC:MED&resulttype=core&format=json

Journal of Cheminformatics

6 March 2020

published in

2 references

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6 March 2020

volume

8

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6 March 2020

issue

1

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page(s)

1

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Creative Commons Attribution 4.0 International

6 March 2020

copyright license

start time

18 January 2016

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

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cites work

Crystal structure of calcineurin-cyclophilin-cyclosporin shows common but distinct recognition of immunophilin-drug complexes

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4722699

Crystal structures of human calcineurin and the human FKBP12-FK506-calcineurin complex

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4722699

Mechanism of CDK activation revealed by the structure of a cyclinA-CDK2 complex

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4722699

X-ray structure of calcineurin inhibited by the immunophilin-immunosuppressant FKBP12-FK506 complex

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4722699

Calcineurin: form and function

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4722699

Surflex: fully automatic flexible molecular docking using a molecular similarity-based search engine

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4722699

Development and validation of a genetic algorithm for flexible docking

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4722699

Application of consensus scoring and principal component analysis for virtual screening against β-secretase (BACE-1)

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4722699

Combining machine learning systems and multiple docking simulation packages to improve docking prediction reliability for network pharmacology

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4722699

Benchmarking sets for molecular docking

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4722699

Extra precision glide: docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4722699

A critical assessment of docking programs and scoring functions

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4722699

Glide: a new approach for rapid, accurate docking and scoring. 2. Enrichment factors in database screening

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4722699

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4722699

Boosting virtual screening enrichments with data fusion: coalescing hits from two-dimensional fingerprints, shape, and docking

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4722699

Identification of novel inhibitors of M. tuberculosis growth using whole cell based high-throughput screening.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4722699

VoteDock: consensus docking method for prediction of protein-ligand interactions

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4722699

Validation of molecular docking programs for virtual screening against dihydropteroate synthase

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4722699

Evaluation of the performance of 3D virtual screening protocols: RMSD comparisons, enrichment assessments, and decoy selection--what can we learn from earlier mistakes?

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4722699

Targeting calcineurin activation as a therapeutic strategy for T-cell acute lymphoblastic leukemia

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4722699

On evaluating molecular-docking methods for pose prediction and enrichment factors

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4722699

Comparison of automated docking programs as virtual screening tools

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4722699

Evaluation and application of multiple scoring functions for a virtual screening experiment

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4722699

Thiazolidinone CFTR inhibitor identified by high-throughput screening blocks cholera toxin-induced intestinal fluid secretion.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4722699

ConsDock: A new program for the consensus analysis of protein-ligand interactions

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4722699

Evaluation of 11 scoring functions performance on matrix metalloproteinases

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4722699

High-throughput screening identifies inhibitors of DUX4-induced myoblast toxicity

2 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4722699

Assessing molecular docking tools for relative biological activity prediction: a case study of triazole HIV-1 NNRTIs

2 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4722699

Directory of useful decoys, enhanced (DUD-E): better ligands and decoys for better benchmarking

2 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4722699

Consensus scoring for ligand/protein interactions

2 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4722699

Can we trust docking results? Evaluation of seven commonly used programs on PDBbind database.

2 June 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-016-0112-Z

Comparing sixteen scoring functions for predicting biological activities of ligands for protein targets.

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-016-0112-Z

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-016-0112-Z

A fast flexible docking method using an incremental construction algorithm.

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-016-0112-Z

Molecular recognition of receptor sites using a genetic algorithm with a description of desolvation

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-016-0112-Z

Consensus scoring with feature selection for structure-based virtual screening

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-016-0112-Z

Consensus docking: improving the reliability of docking in a virtual screening context

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-016-0112-Z

Consensus scoring: A method for obtaining improved hit rates from docking databases of three-dimensional structures into proteins.

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-016-0112-Z

Empirical scoring functions for advanced protein-ligand docking with PLANTS.

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-016-0112-Z

How to choose relevant multiple receptor conformations for virtual screening: a test case of Cdk2 and normal mode analysis

21 January 2018

1 reference

https://api.crossref.org/works/10.1186%2FS13321-016-0112-Z

Reranking Docking Poses Using Molecular Simulations and Approximate Free Energy Methods

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/26807156

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Virtual screening workflow development guided by the "receiver operating characteristic" curve approach. Application to high-throughput docking on metabotropic glutamate receptor subtype 4

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/26807156

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

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

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/26807156

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1186/S13321-016-0112-Z

2 references

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26807156%20AND%20SRC:MED&resulttype=core&format=json

journals/jcheminf/ChaputMQRSM16

6 March 2020

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

1 reference

9 September 2019

https://scigraph.springernature.com/pub.10.1186/s13321-016-0112-z

1 reference

2 references

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26807156%20AND%20SRC:MED&resulttype=core&format=json

6 March 2020

PubMed publication ID

26807156

2 references

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:26807156%20AND%20SRC:MED&resulttype=core&format=json