(Q33957419)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20444874%20AND%20SRC:MED&resulttype=core&format=json

1 February 2020

title

Frog2: Efficient 3D conformation ensemble generator for small compounds (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20444874%20AND%20SRC:MED&resulttype=core&format=json

1 February 2020

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20444874%20AND%20SRC:MED&resulttype=core&format=json

1 February 2020

Pierre Tuffery

series ordinal

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20444874%20AND%20SRC:MED&resulttype=core&format=json

1 February 2020

author name string

Frederic Guyon

series ordinal

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20444874%20AND%20SRC:MED&resulttype=core&format=json

1 February 2020

language of work or name

English

0 references

publication date

5 May 2010

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20444874%20AND%20SRC:MED&resulttype=core&format=json

1 February 2020

published in

Nucleic Acids Research

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20444874%20AND%20SRC:MED&resulttype=core&format=json

1 February 2020

volume

38

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20444874%20AND%20SRC:MED&resulttype=core&format=json

1 February 2020

page(s)

W622-7

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20444874%20AND%20SRC:MED&resulttype=core&format=json

1 February 2020

issue

Web Server issue

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20444874%20AND%20SRC:MED&resulttype=core&format=json

Creative Commons Attribution-NonCommercial 2.5 Generic

1 February 2020

copyright license

start time

4 October 2016

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

0 references

cites work

DG-AMMOS: a new tool to generate 3d conformation of small molecules using distance geometry and automated molecular mechanics optimization for in silico screening

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2896087

Targeted scoring functions for virtual screening

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2896087

MED-3DMC: a new tool to generate 3D conformation ensembles of small molecules with a Monte Carlo sampling of the conformational space

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2896087

AMMOS: Automated Molecular Mechanics Optimization tool for in silico Screening

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2896087

MS-DOCK: accurate multiple conformation generator and rigid docking protocol for multi-step virtual ligand screening

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2896087

Small molecule conformational preferences derived from crystal structure data. A medicinal chemistry focused analysis

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2896087

Protein protein interaction inhibition (2P2I) combining high throughput and virtual screening: Application to the HIV-1 Nef protein

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2896087

Free resources to assist structure-based virtual ligand screening experiments

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2896087

Frog: a FRee Online druG 3D conformation generator.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2896087

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=2896087

FAF-Drugs: free ADME/tox filtering of compound collections.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2896087

The Blue Obelisk-interoperability in chemical informatics

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2896087

Small molecule shape-fingerprints

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2896087

ZINC--a free database of commercially available compounds for virtual screening

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2896087

Virtual screening of chemical libraries

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2896087

The PDBbind database: collection of binding affinities for protein-ligand complexes with known three-dimensional structures

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2896087

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=2896087

Combined pharmacophore modeling, docking, and 3D QSAR studies of ABCB1 and ABCC1 transporter inhibitors

5 July 2018

1 reference

https://api.crossref.org/works/10.1093%2FNAR%2FGKQ325

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FNAR%2FGKQ325

Generating conformer ensembles using a multiobjective genetic algorithm.

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FNAR%2FGKQ325

Comparative performance assessment of the conformational model generators omega and catalyst: a large-scale survey on the retrieval of protein-bound ligand conformations.

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FNAR%2FGKQ325

Diverse, high-quality test set for the validation of protein-ligand docking performance.

21 January 2018

1 reference

https://api.crossref.org/works/10.1093%2FNAR%2FGKQ325

What has virtual screening ever done for drug discovery?

21 January 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2896087

29 October 2018

Identifiers

DOI

10.1093/NAR/GKQ325

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20444874%20AND%20SRC:MED&resulttype=core&format=json

1 February 2020

DBLP publication ID

journals/nar/MitevaGT10

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20444874%20AND%20SRC:MED&resulttype=core&format=json

1 February 2020

1 reference