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Pocket-based drug design: exploring pocket space
scientific article published on 22 November 2012
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Europe PubMed Central
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3535113
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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23180158%20AND%20SRC:MED&resulttype=core&format=json
retrieved
18 February 2020
review article
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title
Pocket-based drug design: exploring pocket space
(English)
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Europe PubMed Central
PMC publication ID
3535113
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23180158%20AND%20SRC:MED&resulttype=core&format=json
retrieved
18 February 2020
author
Linfeng Gan
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2
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Europe PubMed Central
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3535113
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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23180158%20AND%20SRC:MED&resulttype=core&format=json
retrieved
18 February 2020
author name string
Xiliang Zheng
series ordinal
1
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Europe PubMed Central
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3535113
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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23180158%20AND%20SRC:MED&resulttype=core&format=json
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18 February 2020
Erkang Wang
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3
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Europe PubMed Central
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3535113
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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23180158%20AND%20SRC:MED&resulttype=core&format=json
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18 February 2020
Jin Wang
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4
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3535113
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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23180158%20AND%20SRC:MED&resulttype=core&format=json
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18 February 2020
language of work or name
English
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publication date
22 November 2012
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Europe PubMed Central
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3535113
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retrieved
18 February 2020
published in
The AAPS Journal
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Europe PubMed Central
PMC publication ID
3535113
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18 February 2020
volume
15
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Europe PubMed Central
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3535113
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18 February 2020
issue
1
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Europe PubMed Central
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3535113
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18 February 2020
page(s)
228-241
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Europe PubMed Central
PMC publication ID
3535113
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18 February 2020
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Consistent improvement of cross-docking results using binding site ensembles generated with elastic network normal modes
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Combining global and local measures for structure-based druggability predictions
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https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3535113
retrieved
28 June 2018
Protein clefts in molecular recognition and function
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3535113
retrieved
28 June 2018
Improved Treatment of Ligands and Coupling Effects in Empirical Calculation and Rationalization of pKa Values.
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3535113
retrieved
21 September 2018
PDB-scale analysis of known and putative ligand-binding sites with structural sketches
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3535113
retrieved
21 September 2018
Identification of cavities on protein surface using multiple computational approaches for drug binding site prediction.
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3535113
retrieved
21 September 2018
Large-Scale Comparison of Four Binding Site Detection Algorithms
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3535113
retrieved
21 September 2018
Detection of multiscale pockets on protein surfaces using mathematical morphology.
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3535113
retrieved
21 September 2018
Computational approaches to identifying and characterizing protein binding sites for ligand design
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3535113
retrieved
21 September 2018
MetaPocket: a meta approach to improve protein ligand binding site prediction.
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3535113
retrieved
21 September 2018
Form follows function: shape analysis of protein cavities for receptor-based drug design.
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3535113
retrieved
21 September 2018
Geometry-based sampling of conformational transitions in proteins.
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3535113
retrieved
21 September 2018
Structure-based maximal affinity model predicts small-molecule druggability.
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3535113
retrieved
21 September 2018
Representing receptor flexibility in ligand docking through relevant normal modes.
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3535113
retrieved
21 September 2018
Structure of the G60A mutant of Ras: implications for the dominant negative effect
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3535113
retrieved
21 September 2018
Q-SiteFinder: an energy-based method for the prediction of protein-ligand binding sites
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3535113
retrieved
21 September 2018
Fast optimal leaf ordering for hierarchical clustering.
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3535113
retrieved
21 September 2018
Fast prediction and visualization of protein binding pockets with PASS.
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3535113
retrieved
21 September 2018
PROPKA3: Consistent Treatment of Internal and Surface Residues in Empirical pKa Predictions
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3535113
retrieved
21 October 2018
How to choose relevant multiple receptor conformations for virtual screening: a test case of Cdk2 and normal mode analysis
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3535113
retrieved
4 December 2018
Transient Pockets on Protein Surfaces Involved in Protein−Protein Interaction
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3535113
retrieved
4 December 2018
Quantifying intrinsic specificity: a potential complement to affinity in drug screening
1 reference
stated in
PubMed
reference URL
https://pubmed.ncbi.nlm.nih.gov/23180158
retrieved
12 December 2020
based on heuristic
inferred from PubMed ID database lookup
Energy landscape theory, funnels, specificity, and optimal criterion of biomolecular binding
1 reference
stated in
PubMed
reference URL
https://pubmed.ncbi.nlm.nih.gov/23180158
retrieved
12 December 2020
based on heuristic
inferred from PubMed ID database lookup
Identifiers
DOI
10.1208/S12248-012-9426-6
1 reference
stated in
Europe PubMed Central
PMC publication ID
3535113
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23180158%20AND%20SRC:MED&resulttype=core&format=json
retrieved
18 February 2020
Dimensions Publication ID
1018490765
0 references
PMC publication ID
3535113
1 reference
stated in
Europe PubMed Central
PMC publication ID
3535113
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23180158%20AND%20SRC:MED&resulttype=core&format=json
retrieved
18 February 2020
PubMed publication ID
23180158
1 reference
stated in
Europe PubMed Central
PMC publication ID
3535113
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:23180158%20AND%20SRC:MED&resulttype=core&format=json
retrieved
18 February 2020
ResearchGate publication ID
233770140
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