Full protein flexibility is essential for proper hot-spot mapping. (Q30397411)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21158470%20AND%20SRC:MED&resulttype=core&format=json

18 January 2020

title

Full protein flexibility is essential for proper hot-spot mapping (English)

1 reference

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18 January 2020

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21158470%20AND%20SRC:MED&resulttype=core&format=json

18 January 2020

Katrina W Lexa

1 reference

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18 January 2020

language of work or name

English

0 references

publication date

15 December 2010

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21158470%20AND%20SRC:MED&resulttype=core&format=json

Journal of the American Chemical Society

18 January 2020

published in

1 reference

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18 January 2020

volume

133

1 reference

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18 January 2020

issue

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18 January 2020

page(s)

200-202

1 reference

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Computational fragment-based binding site identification by ligand competitive saturation

18 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=3081398

Binding site detection and druggability index from first principles.

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3081398

Fragment-based identification of druggable 'hot spots' of proteins using Fourier domain correlation techniques

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3081398

A poke in the eye: inhibiting HIV-1 protease through its flap-recognition pocket

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3081398

Novel druggable hot spots in avian influenza neuraminidase H5N1 revealed by computational solvent mapping of a reduced and representative receptor ensemble.

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3081398

Small molecule inhibitors of the MDM2-p53 interaction discovered by ensemble-based receptor models.

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3081398

Protein flexibility and species specificity in structure-based drug discovery: dihydrofolate reductase as a test system.

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3081398

Comparison of multiple Amber force fields and development of improved protein backbone parameters

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3081398

Refining the multiple protein structure pharmacophore method: consistency across three independent HIV-1 protease models.

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3081398

Computational mapping identifies the binding sites of organic solvents on proteins

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3081398

20 June 2018

The Protein Data Bank

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3081398

X-ray studies on cross-linked lysozyme crystals in acetonitrile-water mixture

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3081398

Locating and characterizing binding sites on proteins

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3081398

A computational procedure for determining energetically favorable binding sites on biologically important macromolecules

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3081398

MCSS functionality maps for a flexible protein.

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3081398

Incorporating protein flexibility in structure-based drug discovery: using HIV-1 protease as a test case

26 November 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/21158470

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1021/JA1079332

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21158470%20AND%20SRC:MED&resulttype=core&format=json

18 January 2020

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21158470%20AND%20SRC:MED&resulttype=core&format=json

18 January 2020

PubMed publication ID

21158470

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21158470%20AND%20SRC:MED&resulttype=core&format=json