(Q34024530)

30 July 2017

1 reference

title

PubChem3D: a new resource for scientists (English)

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30 July 2017

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1

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30 July 2017

3

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30 July 2017

13

Stephen H Bryant

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author name string

Jie Chen

2

1 reference

30 July 2017

Lianyi Han

4

1 reference

30 July 2017

Siqian He

5

1 reference

30 July 2017

Wenyao Shi

6

1 reference

30 July 2017

Vahan Simonyan

7

1 reference

30 July 2017

Yan Sun

8

1 reference

30 July 2017

Paul A Thiessen

9

1 reference

30 July 2017

Jiyao Wang

10

1 reference

30 July 2017

Bo Yu

11

1 reference

30 July 2017

Jian Zhang

12

1 reference

30 July 2017

20 September 2011

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Journal of Cheminformatics

30 July 2017

1 reference

30 July 2017

3

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30 July 2017

32

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30 July 2017

1

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Creative Commons Attribution 2.0 Generic

30 July 2017

start time

20 September 2011

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

1 reference

April 2022 Public Data File from Crossref

exact match

https://scigraph.springernature.com/pub.10.1186/1758-2946-3-32

0 references

cites work

Biasing conformational ensembles towards bioactive-like conformers for ligand-based drug design

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3269824

PubChem3D: Biologically relevant 3-D similarity

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3269824

PubChem3D: Shape compatibility filtering using molecular shape quadrupoles

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3269824

PubChem3D: Similar conformers

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3269824

PubChem3D: Diversity of shape

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3269824

Synopsis of some recent tactical application of bioisosteres in drug design

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3269824

PubChem3D: Conformer generation

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3269824

Database resources of the National Center for Biotechnology Information

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3269824

Structure-based discovery of antibacterial drugs

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3269824

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

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3269824

Molecular Shape and Medicinal Chemistry: A Perspective

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3269824

An overview of the PubChem BioAssay resource

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3269824

Structure-based drug metabolism predictions for drug design.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3269824

Structure-based drug design strategies in medicinal chemistry

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3269824

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

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3269824

Structure-based design of molecular cancer therapeutics

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3269824

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

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3269824

Taverna: a tool for building and running workflows of services

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3269824

Docking: successes and challenges

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3269824

Three-dimensional hydrogen-bond geometry and probability information from a crystal survey

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3269824

Structure-based strategies for drug design and discovery

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3269824

A new class of molecular shape descriptors. 1. Theory and properties.

5 July 2018

1 reference

Crossref

https://api.crossref.org/works/10.1186%2F1758-2946-3-32

MIMUMBA revisited: torsion angle rules for conformer generation derived from X-ray structures

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/21933373

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Implementing drug screening programs using molecular similarity methods

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/21933373

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Reproducing the conformations of protein-bound ligands: a critical evaluation of several popular conformational searching tools

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/21933373

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-3-32

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

2 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-3-32

A Gaussian Description of Molecular Shape

2 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-3-32

MMFF VI. MMFF94s option for energy minimization studies

2 January 2022

1 reference

https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-3-32

25 March 2023

Identifiers

DOI

10.1186/1758-2946-3-32

1 reference

journals/jcheminf/BoltonCKHHSSSTWYZB11

30 July 2017

1 reference

DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

0 references

1 reference

30 July 2017

1 reference