(Q80467476)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18183356%20AND%20SRC:MED&resulttype=core&format=json

31 December 2019

title

Can we use docking and scoring for hit-to-lead optimization? (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18183356%20AND%20SRC:MED&resulttype=core&format=json

31 December 2019

author name string

Istvan J Enyedy

series ordinal

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18183356%20AND%20SRC:MED&resulttype=core&format=json

31 December 2019

William J Egan

series ordinal

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18183356%20AND%20SRC:MED&resulttype=core&format=json

31 December 2019

publication date

9 January 2008

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18183356%20AND%20SRC:MED&resulttype=core&format=json

Journal of Computer - Aided Molecular Design

31 December 2019

published in

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18183356%20AND%20SRC:MED&resulttype=core&format=json

31 December 2019

volume

22

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18183356%20AND%20SRC:MED&resulttype=core&format=json

31 December 2019

issue

3-4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18183356%20AND%20SRC:MED&resulttype=core&format=json

31 December 2019

page(s)

161-168

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18183356%20AND%20SRC:MED&resulttype=core&format=json

https://scigraph.springernature.com/pub.10.1007/s10822-007-9165-4

31 December 2019

exact match

0 references

cites work

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Evolution of a highly selective and potent 2-(pyridin-2-yl)-1,3,5-triazine Tie-2 kinase inhibitor

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Extra precision glide: docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes

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Glide: a new approach for rapid, accurate docking and scoring. 2. Enrichment factors in database screening

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Structure-based approach for the discovery of bis-benzamidines as novel inhibitors of matriptase

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Evaluation of library ranking efficacy in virtual screening

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Molecular modelling probes: docking and scoring

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Virtual screening to enrich a compound collection with CDK2 inhibitors using docking, scoring, and composite scoring models

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Exploring the binding site structure of the PPAR gamma ligand-binding domain by computational solvent mapping

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The structural basis for specificity of substrate and recruitment peptides for cyclin-dependent kinases

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12 December 2020

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12 December 2020

Validation of an automated procedure for the prediction of relative free energies of binding on a set of aldose reductase inhibitors

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12 December 2020

Substituted aminobenzimidazole pyrimidines as cyclin-dependent kinase inhibitors

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12 December 2020

Evaluation of docking performance: comparative data on docking algorithms

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12 December 2020

Theoretical calculation of the binding free energies for pyruvate dehydrogenase E1 binding with ligands

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12 December 2020

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12 December 2020

Analysis and optimization of structure-based virtual screening protocols. (3). New methods and old problems in scoring function design.

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Comparative evaluation of 11 scoring functions for molecular docking

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Comparative performance of several flexible docking programs and scoring functions: enrichment studies for a diverse set of pharmaceutically relevant targets

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12 December 2020

10.1007/S10822-007-9165-4

Identifiers

DOI

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18183356%20AND%20SRC:MED&resulttype=core&format=json

31 December 2019

DBLP publication ID

journals/jcamd/EnyedyE08

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference