Binding-site assessment by virtual fragment screening (Q28473615)

April 2022 Public Data File from Crossref

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copyrighted

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cites work

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Methods for the prediction of protein-ligand binding sites for structure-based drug design and virtual ligand screening

29 September 2017

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LIGSITEcsc: predicting ligand binding sites using the Connolly surface and degree of conservation

29 September 2017

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Localization of binding sites in protein structures by optimization of a composite scoring function

29 September 2017

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29 September 2017

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29 September 2017

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29 September 2017

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29 September 2017

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29 September 2017

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Anatomy of protein pockets and cavities: measurement of binding site geometry and implications for ligand design

29 September 2017

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29 September 2017

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Multiscale Optimization of a Truncated Newton Minimization Algorithm and Application to Proteins and Protein-Ligand Complexes

2 June 2018

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27 November 2018

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Structure-based maximal affinity model predicts small-molecule druggability.

27 November 2018

1 reference

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Effects of conformational dynamics on predicted protein druggability.

27 November 2018

1 reference

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Physics-based scoring of protein-ligand complexes: enrichment of known inhibitors in large-scale virtual screening

27 November 2018

1 reference

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Grand canonical Monte Carlo simulation of ligand-protein binding.

27 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2852417

A method for localizing ligand binding pockets in protein structures

27 November 2018

1 reference

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Q-SiteFinder: an energy-based method for the prediction of protein-ligand binding sites.

27 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2852417

Fragment-based lead discovery using X-ray crystallography.

27 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2852417

Role of hydrophobic residues in the C1b domain of protein kinase C delta on ligand and phospholipid interactions

27 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2852417

Fast prediction and visualization of protein binding pockets with PASS.

27 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2852417

LIGSITE: automatic and efficient detection of potential small molecule-binding sites in proteins

27 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2852417

Use of amino acid composition to predict ligand-binding sites

27 November 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/20404926

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

New method for fast and accurate binding-site identification and analysis

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/20404926

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1371/JOURNAL.PONE.0010109

1 reference

4249782

ADS bibcode

2010PLoSO...510109H

0 references

4249782

1 reference

1 reference

1 reference