wwLigCSRre: a 3D ligand-based server for hit identification and optimization (Q28244457)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19429687%20AND%20SRC:MED&resulttype=core&format=json

27 January 2020

title

wwLigCSRre: a 3D ligand-based server for hit identification and optimization (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19429687%20AND%20SRC:MED&resulttype=core&format=json

27 January 2020

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19429687%20AND%20SRC:MED&resulttype=core&format=json

27 January 2020

Michel Petitjean

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19429687%20AND%20SRC:MED&resulttype=core&format=json

27 January 2020

Pierre Tuffery

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19429687%20AND%20SRC:MED&resulttype=core&format=json

27 January 2020

author name string

M Petitjean

2

0 references

P Tuffery

3

0 references

language of work or name

English

0 references

publication date

8 May 2009

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19429687%20AND%20SRC:MED&resulttype=core&format=json

27 January 2020

published in

Nucleic Acids Research

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19429687%20AND%20SRC:MED&resulttype=core&format=json

27 January 2020

volume

37

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19429687%20AND%20SRC:MED&resulttype=core&format=json

27 January 2020

page(s)

W504-9

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19429687%20AND%20SRC:MED&resulttype=core&format=json

27 January 2020

issue

Web Server issue

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19429687%20AND%20SRC:MED&resulttype=core&format=json

The Blue Obelisk-interoperability in chemical informatics

27 January 2020

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2703967

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

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2703967

Database resources of the National Center for Biotechnology Information

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2703967

ShaEP: molecular overlay based on shape and electrostatic potential

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2703967

Pyrazolo[1,5-a]-1,3,5-triazine as a purine bioisostere: access to potent cyclin-dependent kinase inhibitor (R)-roscovitine analogue.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2703967

FAF-Drugs2: free ADME/tox filtering tool to assist drug discovery and chemical biology projects

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2703967

Superimpose: a 3D structural superposition server

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2703967

Recent trends in library design: 'rational design' revisited

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2703967

PharmaGist: a webserver for ligand-based pharmacophore detection

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2703967

Coverage and bias in chemical library design

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2703967

MS-DOCK: accurate multiple conformation generator and rigid docking protocol for multi-step virtual ligand 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=2703967

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2703967

ValLigURL: a server for ligand-structure comparison and validation

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2703967

Frog: a FRee Online druG 3D conformation generator.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2703967

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

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2703967

Pharmacophore modeling in drug discovery and development: an overview

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2703967

Query Chem: a Google-powered web search combining text and chemical structures

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2703967

Structure-based development of target-specific compound libraries

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2703967

Prediction methods and databases within chemoinformatics: emphasis on drugs and drug candidates

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2703967

Ligand.Info small-molecule Meta-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=2703967

Ligand Depot: a data warehouse for ligands bound to macromolecules

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2703967

sMOL Explorer: an open source, web-enabled database and exploration tool for Small MOLecules 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=2703967

Enhanced CACTVS browser of the Open NCI Database

2 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2703967

Comparison of the NCI open database with seven large chemical structural databases.

2 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2703967

Optimization of a series of 4,6-bis-anilino-1H-pyrrolo[2,3-d]pyrimidine inhibitors of IGF-1R: elimination of an acid-mediated decomposition pathway

2 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2703967

FTree query construction for virtual screening: a statistical analysis.

27 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2703967

ChemMine. A compound mining database for chemical genomics.

27 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2703967

SuperDrug: a conformational drug database

27 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2703967

Comparison of 2D similarity and 3D superposition. Application to searching a conformational drug database.

27 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2703967

Feature trees: a new molecular similarity measure based on tree matching.

27 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2703967

Methods for applying the quantitative structure-activity relationship paradigm

27 November 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/19429687

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Chemical space and biology

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/19429687

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1093/NAR/GKP324

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19429687%20AND%20SRC:MED&resulttype=core&format=json

journals/nar/SperandioPT09

27 January 2020

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:19429687%20AND%20SRC:MED&resulttype=core&format=json

27 January 2020

1 reference