PubChem3D: Diversity of shape (Q33850364)

29 July 2017

title

PubChem3D: Diversity of shape (English)

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29 July 2017

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Stephen H Bryant

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publication date

21 March 2011

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Journal of Cheminformatics

29 July 2017

published in

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29 July 2017

volume

3

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29 July 2017

page(s)

9

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Creative Commons Attribution 2.0 Generic

29 July 2017

copyright license

start time

21 March 2011

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April 2022 Public Data File from Crossref

copyright status

copyrighted

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April 2022 Public Data File from Crossref

cites work

Challenges and advances in computational docking: 2009 in review

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3072936

Development of anti-viral agents using molecular modeling and virtual screening techniques

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3072936

PubChem3D: Conformer generation

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3072936

Comprehensive comparison of ligand-based virtual screening tools against the DUD data set reveals limitations of current 3D methods.

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3072936

Molecular Shape and Medicinal Chemistry: A Perspective

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3072936

An overview of the PubChem BioAssay resource

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3072936

Database resources of the National Center for Biotechnology Information

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3072936

PubChem: a public information system for analyzing bioactivities of small molecules

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3072936

Fast 3D shape screening of large chemical databases through alignment-recycling

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3072936

Comparison of topological, shape, and docking methods in virtual screening.

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3072936

Small molecule shape-fingerprints

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3072936

Comparison of Shape-Matching and Docking as Virtual Screening Tools

28 July 2018

1 reference

Crossref

https://api.crossref.org/works/10.1186%2F1758-2946-3-9

Virtual screening: an endless staircase?

21 January 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3072936

Multiple protein structures and multiple ligands: effects on the apparent goodness of virtual screening results

29 October 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/21418625

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

A fast method of molecular shape comparison: A simple application of a Gaussian description of molecular shape

1 reference

COCI

https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-3-9

A Gaussian Description of Molecular Shape

2 January 2022

1 reference

COCI

https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-3-9

2 January 2022

Identifiers

DOI

10.1186/1758-2946-3-9

1 reference

journals/jcheminf/BoltonKB11a

29 July 2017

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

1 reference

https://scigraph.springernature.com/pub.10.1186/1758-2946-3-9

9 September 2019

1 reference

29 July 2017

1 reference