(Q28275104)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27106057%20AND%20SRC:MED&resulttype=core&format=json

2 April 2020

title

USR-VS: a web server for large-scale prospective virtual screening using ultrafast shape recognition techniques (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27106057%20AND%20SRC:MED&resulttype=core&format=json

2 April 2020

1 reference

1 reference

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27106057%20AND%20SRC:MED&resulttype=core&format=json

2 April 2020

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27106057%20AND%20SRC:MED&resulttype=core&format=json

2 April 2020

Kwong-S Leung

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27106057%20AND%20SRC:MED&resulttype=core&format=json

2 April 2020

Man-H Wong

series ordinal

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27106057%20AND%20SRC:MED&resulttype=core&format=json

2 April 2020

language of work or name

English

0 references

publication date

22 April 2016

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27106057%20AND%20SRC:MED&resulttype=core&format=json

2 April 2020

published in

Nucleic Acids Research

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27106057%20AND%20SRC:MED&resulttype=core&format=json

2 April 2020

volume

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27106057%20AND%20SRC:MED&resulttype=core&format=json

2 April 2020

issue

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27106057%20AND%20SRC:MED&resulttype=core&format=json

2 April 2020

page(s)

W436-41

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27106057%20AND%20SRC:MED&resulttype=core&format=json

Creative Commons Attribution 4.0 International

2 April 2020

start time

14 November 2016

1 reference

April 2022 Public Data File from Crossref

copyrighted

0 references

cites work

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1 reference

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20 March 2017

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The ChEMBL bioactivity database: an update

20 March 2017

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Ultrafast shape recognition: method and applications

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4987897

Discovery of potent inhibitors of soluble epoxide hydrolase by combinatorial library design and structure-based virtual screening

20 March 2017

1 reference

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Virtual screening: an endless staircase?

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4987897

Prospective virtual screening with Ultrafast Shape Recognition: the identification of novel inhibitors of arylamine N-acetyltransferases

20 March 2017

1 reference

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Identification of a chemical probe for NAADP by virtual screening

20 March 2017

1 reference

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UFSRAT: Ultra-fast Shape Recognition with Atom Types--the discovery of novel bioactive small molecular scaffolds for FKBP12 and 11βHSD1

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4987897

WENDI: A tool for finding non-obvious relationships between compounds and biological properties, genes, diseases and scholarly publications

20 March 2017

1 reference

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ZINC: a free tool to discover chemistry for biology

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4987897

Structure- and ligand-based virtual screening identifies new scaffolds for inhibitors of the oncoprotein MDM2.

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4987897

Biochemical evaluation of virtual screening methods reveals a cell-active inhibitor of the cancer-promoting phosphatases of regenerating liver.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4987897

A multi-fingerprint browser for the ZINC database

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4987897

iview: an interactive WebGL visualizer for protein-ligand complex.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4987897

Prospective virtual screening for novel p53-MDM2 inhibitors using ultrafast shape recognition

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4987897

PDBe: Protein Data Bank in Europe

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4987897

Automated design of ligands to polypharmacological profiles.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4987897

USRCAT: real-time ultrafast shape recognition with pharmacophoric constraints

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4987897

Adenosiland: walking through adenosine receptors landscape

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4987897

Hierarchical virtual screening for the discovery of new molecular scaffolds in antibacterial hit identification

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4987897

Swimming into peptidomimetic chemical space using pepMMsMIMIC.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4987897

EDULISS: a small-molecule database with data-mining and pharmacophore searching capabilities

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4987897

Quo Vadis, Virtual Screening? A Comprehensive Survey of Prospective Applications

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4987897

Tracing conformational changes in proteins

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4987897

Frog2: Efficient 3D conformation ensemble generator for small compounds.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4987897

Advances in cheminformatics methodologies and infrastructure to support the data mining of large, heterogeneous chemical datasets

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4987897

Docking and chemoinformatic screens for new ligands and targets

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4987897

Identification of novel falcipain-2 inhibitors as potential antimalarial agents through structure-based virtual 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=4987897

The importance of discerning shape in molecular pharmacology

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4987897

Discovery of novel PPAR ligands by a virtual screening approach based on pharmacophore modeling, 3D shape, and electrostatic similarity 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=4987897

Why do we need so many chemical similarity search methods?

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4987897

Novel approach for chemotype hopping based on annotated databases of chemically feasible fragments and a prospective case study: new melanin concentrating hormone antagonists.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4987897

Ultrafast shape recognition for similarity search in molecular databases

2 June 2018

1 reference

https://api.crossref.org/works/10.1093%2FNAR%2FGKW320

CREDO: a protein-ligand interaction database for drug discovery

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FNAR%2FGKW320

BIPA: a database for protein-nucleic acid interaction in 3D structures

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FNAR%2FGKW320

Multiscale approach to explore the potential energy surface of water clusters (H2O)nn <or= 8.

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FNAR%2FGKW320

ChemMapper: a versatile web server for exploring pharmacology and chemical structure association based on molecular 3D similarity method.

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FNAR%2FGKW320

Complementing ultrafast shape recognition with an optical isomerism descriptor

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FNAR%2FGKW320

Scaffold hopping by fragment replacement

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FNAR%2FGKW320

A new method for rapid comparison of protein binding pockets by capturing spatial distributions.

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FNAR%2FGKW320

Prospective identification of biologically active structures by topomer shape similarity searching

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FNAR%2FGKW320

Freely available conformer generation methods: how good are they?

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FNAR%2FGKW320

ElectroShape: fast molecular similarity calculations incorporating shape, chirality and electrostatics

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FNAR%2FGKW320

Ultrafast shape recognition: Evaluating a new ligand-based virtual screening technology

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/27106057

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1093/NAR/GKW320

2 references

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27106057%20AND%20SRC:MED&resulttype=core&format=json

2 April 2020

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

2 references

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27106057%20AND%20SRC:MED&resulttype=core&format=json

2 April 2020

PubMed publication ID

27106057

2 references

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27106057%20AND%20SRC:MED&resulttype=core&format=json