(Q28307816)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21428826%20AND%20SRC:MED&resulttype=core&format=json

26 January 2020

review article

1 reference

title

Ultrafast shape recognition: method and applications (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21428826%20AND%20SRC:MED&resulttype=core&format=json

26 January 2020

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21428826%20AND%20SRC:MED&resulttype=core&format=json

26 January 2020

author name string

Pedro J Ballester

series ordinal

1

0 references

language of work or name

English

0 references

publication date

1 January 2011

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21428826%20AND%20SRC:MED&resulttype=core&format=json

Future Medicinal Chemistry

26 January 2020

published in

2 references

PubMed

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21428826%20AND%20SRC:MED&resulttype=core&format=json

26 January 2020

volume

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21428826%20AND%20SRC:MED&resulttype=core&format=json

26 January 2020

issue

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21428826%20AND%20SRC:MED&resulttype=core&format=json

26 January 2020

page(s)

65-78

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21428826%20AND%20SRC:MED&resulttype=core&format=json

Enhancements of screening collections to address areas of unmet medical need: an industry perspective

26 January 2020

cites work

1 reference

https://api.crossref.org/works/10.4155%2FFMC.10.280

Delivering the power of discovery in large pharmaceutical organizations.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.10.280

Virtual screening: an endless staircase?

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.10.280

Shape signatures: a new approach to computer-aided ligand- and receptor-based drug design

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.10.280

The importance of discerning shape in molecular pharmacology

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.10.280

Molecular shape technologies in drug discovery: methods and applications

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.10.280

Ultrafast shape recognition to search compound databases for similar molecular shapes.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.10.280

Ultrafast shape recognition for similarity search in molecular databases

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.10.280

Prospective virtual screening with Ultrafast Shape Recognition: the identification of novel inhibitors of arylamine N-acetyltransferases

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.10.280

A Gaussian Description of Molecular Shape

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.10.280

A novel hybrid ultrafast shape descriptor method for use in virtual screening.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.10.280

Molecular Shape and Medicinal Chemistry: A Perspective

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.10.280

Complementing ultrafast shape recognition with an optical isomerism descriptor.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.10.280

Structure-based optimization of potent and selective inhibitors of the tyrosine kinase erythropoietin producing human hepatocellular carcinoma receptor B4 (EphB4).

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.10.280

Multiscale approach to explore the potential energy surface of water clusters (H2O)nn <or= 8.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.10.280

CREDO: a protein-ligand interaction database for drug discovery.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.10.280

BIPA: a database for protein-nucleic acid interaction in 3D structures

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.10.280

Advances in cheminformatics methodologies and infrastructure to support the data mining of large, heterogeneous chemical datasets

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.10.280

WENDI: A tool for finding non-obvious relationships between compounds and biological properties, genes, diseases and scholarly publications

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.10.280

Benchmarking sets for molecular docking

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.10.280

Evaluating virtual screening methods: good and bad metrics for the "early recognition" problem.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.10.280

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

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.10.280

McMaster University data-mining and docking competition: computational models on the catwalk

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.10.280

Evaluating the high-throughput screening computations

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.10.280

Community benchmarks for virtual screening

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.10.280

Human arylamine N-acetyltransferase 1: a drug-metabolizing enzyme and a drug target?

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.10.280

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

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.10.280

Identification of novel falcipain-2 inhibitors as potential antimalarial agents through structure-based virtual screening.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.10.280

A machine learning approach to predicting protein-ligand binding affinity with applications to molecular docking

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.10.280

A crowdsourcing evaluation of the NIH chemical probes

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.10.280

Mining free compound databases to identify candidates selected by virtual screening

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.10.280

Real spherical harmonic expansion coefficients as 3D shape descriptors for protein binding pocket and ligand comparisons.

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.10.280

Network pharmacology: the next paradigm in drug discovery

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.10.280

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.10.280

ElectroShape: fast molecular similarity calculations incorporating shape, chirality and electrostatics

21 January 2018

1 reference

https://api.crossref.org/works/10.4155%2FFMC.10.280

21 January 2018

Identifiers

DOI

10.4155/FMC.10.280

2 references

Consolidated OpenCitations Corpus – April 2017

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21428826%20AND%20SRC:MED&resulttype=core&format=json

release_ibwpe4cxejglfg6j5mu23z3wva

26 January 2020

Fatcat ID

1 reference

Fatcat

https://api.fatcat.wiki/v0/release/ibwpe4cxejglfg6j5mu23z3wva

mapped directly with Wikidata item

24 November 2022

based on heuristic

1 reference

Consolidated OpenCitations Corpus – April 2017

2 references

Consolidated OpenCitations Corpus – April 2017