LIGSIFT: an open-source tool for ligand structural alignment and virtual screening (Q35076245)

6 August 2017

LIGSIFT: an open-source tool for ligand structural alignment and virtual screening (English)

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6 August 2017

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2

Jeffrey Skolnick

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6 August 2017

Ambrish Roy

1

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PubMed ID

25336501

6 August 2017

language of work or name

English

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publication date

21 October 2014

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6 August 2017

6

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inferred from page(s)

published in

Bioinformatics

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6 August 2017

31

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6 August 2017

4

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6 August 2017

539-544

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Ligand-based virtual screening approach using a new scoring function

6 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4325547

When is chemical similarity significant? The statistical distribution of chemical similarity scores and its extreme values

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4325547

Conformer generation with OMEGA: algorithm and validation using high quality structures from the Protein Databank and Cambridge Structural Database

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4325547

Ligand scaffold hopping combining 3D maximal substructure search and molecular similarity

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4325547

ShaEP: molecular overlay based on shape and electrostatic potential

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4325547

FieldScreen: virtual screening using molecular fields. Application to the DUD data set.

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4325547

Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4325547

Selection of molecules based on shape and electrostatic similarity: proof of concept of "electroforms".

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4325547

MED-SuMoLig: a new ligand-based screening tool for efficient scaffold hopping

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4325547

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4325547

Benchmarking sets for molecular docking

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4325547

A shape-based 3-D scaffold hopping method and its application to a bacterial protein-protein interaction

8 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4325547

A Gaussian Description of Molecular Shape

8 July 2018

1 reference

Crossref

https://api.crossref.org/works/10.1093%2FBIOINFORMATICS%2FBTU692

How To Optimize Shape-Based Virtual Screening: Choosing the Right Query and Including Chemical Information

21 January 2018

1 reference

Crossref

https://api.crossref.org/works/10.1093%2FBIOINFORMATICS%2FBTU692

Pharao: pharmacophore alignment and optimization.

21 January 2018

1 reference

Crossref

https://api.crossref.org/works/10.1093%2FBIOINFORMATICS%2FBTU692

Analysis and display of the size dependence of chemical similarity coefficients

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/25336501

12 December 2020

inferred from PubMed ID database lookup

Scaffold-hopping potential of ligand-based similarity concepts

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/25336501

12 December 2020

inferred from PubMed ID database lookup

Identifiers

DOI

10.1093/BIOINFORMATICS/BTU692

1 reference

journals/bioinformatics/RoyS15

6 August 2017

1 reference

DBLP Dataset 2021-01-02

release_sqvlv44bybcxpmkoyaim75g3ae

28 January 2021

Fatcat ID

1 reference

Fatcat

https://api.fatcat.wiki/v0/release/sqvlv44bybcxpmkoyaim75g3ae

24 November 2022

mapped directly with Wikidata item

PMCID

4325547

1 reference

6 August 2017

1 reference

PubMed ID

25336501