ElectroShape: fast molecular similarity calculations incorporating shape, chirality and electrostatics (Q57976070)

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scientific article published on 08 July 2010

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English	ElectroShape: fast molecular similarity calculations incorporating shape, chirality and electrostatics	scientific article published on 08 July 2010

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instance of

scholarly article

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stated in

Europe PubMed Central

PubMed publication ID

20614163

reference URL

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20614163%20AND%20SRC:MED&resulttype=core&format=json

retrieved

7 February 2020

title

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

1 reference

stated in

Europe PubMed Central

PubMed publication ID

20614163

reference URL

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20614163%20AND%20SRC:MED&resulttype=core&format=json

retrieved

7 February 2020

main subject

chirality

1 reference

based on heuristic

inferred from title

author

Garrett M. Morris

series ordinal

2

1 reference

stated in

Europe PubMed Central

PubMed publication ID

20614163

reference URL

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20614163%20AND%20SRC:MED&resulttype=core&format=json

retrieved

7 February 2020

author name string

Raman Sharma

series ordinal

4

1 reference

stated in

Europe PubMed Central

PubMed publication ID

20614163

reference URL

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20614163%20AND%20SRC:MED&resulttype=core&format=json

retrieved

7 February 2020

Loris Moretti

series ordinal

5

1 reference

stated in

Europe PubMed Central

PubMed publication ID

20614163

reference URL

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20614163%20AND%20SRC:MED&resulttype=core&format=json

retrieved

7 February 2020

M Stuart Armstrong

series ordinal

1

1 reference

stated in

Europe PubMed Central

PubMed publication ID

20614163

reference URL

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20614163%20AND%20SRC:MED&resulttype=core&format=json

retrieved

7 February 2020

Paul W Finn

series ordinal

3

1 reference

stated in

Europe PubMed Central

PubMed publication ID

20614163

reference URL

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20614163%20AND%20SRC:MED&resulttype=core&format=json

retrieved

7 February 2020

Richard I Cooper

series ordinal

6

1 reference

stated in

Europe PubMed Central

PubMed publication ID

20614163

reference URL

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20614163%20AND%20SRC:MED&resulttype=core&format=json

retrieved

7 February 2020

W Graham Richards

series ordinal

7

1 reference

stated in

Europe PubMed Central

PubMed publication ID

20614163

reference URL

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20614163%20AND%20SRC:MED&resulttype=core&format=json

retrieved

7 February 2020

publication date

8 July 2010

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Europe PubMed Central

PubMed publication ID

20614163

reference URL

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20614163%20AND%20SRC:MED&resulttype=core&format=json

retrieved

7 February 2020

published in

Journal of Computer - Aided Molecular Design

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stated in

Europe PubMed Central

PubMed publication ID

20614163

reference URL

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20614163%20AND%20SRC:MED&resulttype=core&format=json

retrieved

7 February 2020

volume

24

1 reference

stated in

Europe PubMed Central

PubMed publication ID

20614163

reference URL

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20614163%20AND%20SRC:MED&resulttype=core&format=json

retrieved

7 February 2020

issue

9

1 reference

stated in

Europe PubMed Central

PubMed publication ID

20614163

reference URL

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20614163%20AND%20SRC:MED&resulttype=core&format=json

retrieved

7 February 2020

page(s)

789-801

1 reference

stated in

Europe PubMed Central

PubMed publication ID

20614163

reference URL

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20614163%20AND%20SRC:MED&resulttype=core&format=json

retrieved

7 February 2020

cites work

Chemical Similarity Searching

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1007%2FS10822-010-9374-0

retrieved

21 January 2018

Three-dimensional pharmacophore methods in drug discovery

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/20614163

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Molecular Shape and Medicinal Chemistry: A Perspective

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/20614163

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Optimization of CAMD techniques 3. Virtual screening enrichment studies: a help or hindrance in tool selection?

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/20614163

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Virtual screening of chemical libraries

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/20614163

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Comparison of Shape-Matching and Docking as Virtual Screening Tools

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/20614163

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Virtual screening - what does it give us?

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/20614163

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Molecular similarity including chirality

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/20614163

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

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

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/20614163

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Ultrafast shape recognition to search compound databases for similar molecular shapes

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/20614163

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Neighborhood behavior: a useful concept for validation of "molecular diversity" descriptors

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/20614163

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

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

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/20614163

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

A shape-based 3-D scaffold hopping method and its application to a bacterial protein-protein interaction

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/20614163

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The importance of discerning shape in molecular pharmacology

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/20614163

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

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

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/20614163

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

FieldScreen: virtual screening using molecular fields. Application to the DUD data set.

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/20614163

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Ultrafast shape recognition: Evaluating a new ligand-based virtual screening technology

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/20614163

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Benchmarking sets for molecular docking

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/20614163

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identifiers

DOI

10.1007/S10822-010-9374-0

1 reference

stated in

Europe PubMed Central

PubMed publication ID

20614163

reference URL

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20614163%20AND%20SRC:MED&resulttype=core&format=json

retrieved

7 February 2020

DBLP publication ID

journals/jcamd/ArmstrongMFSMCR10

1 reference

stated in

DBLP Dataset 2021-01-02

retrieved

28 January 2021

PubMed publication ID

20614163

1 reference

stated in

Europe PubMed Central

PubMed publication ID

20614163

reference URL

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20614163%20AND%20SRC:MED&resulttype=core&format=json

retrieved

7 February 2020

 

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