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Protein flexibility and drug design: how to hit a moving target.
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Europe PubMed Central
PubMed publication ID
12133719
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12133719%20AND%20SRC:MED&resulttype=core&format=json
retrieved
11 November 2019
review article
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Europe PubMed Central
title
Protein flexibility and drug design: how to hit a moving target
(English)
1 reference
stated in
Europe PubMed Central
PubMed publication ID
12133719
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12133719%20AND%20SRC:MED&resulttype=core&format=json
retrieved
11 November 2019
main subject
protein design
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author
Heather A Carlson
series ordinal
1
1 reference
stated in
Europe PubMed Central
PubMed publication ID
12133719
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12133719%20AND%20SRC:MED&resulttype=core&format=json
retrieved
11 November 2019
author name string
Heather A Carlson
series ordinal
1
1 reference
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Europe PubMed Central
PubMed publication ID
12133719
retrieved
4 August 2017
publication date
1 August 2002
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Europe PubMed Central
PubMed publication ID
12133719
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12133719%20AND%20SRC:MED&resulttype=core&format=json
retrieved
11 November 2019
published in
Current Opinion in Chemical Biology
1 reference
stated in
Europe PubMed Central
PubMed publication ID
12133719
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12133719%20AND%20SRC:MED&resulttype=core&format=json
retrieved
11 November 2019
volume
6
1 reference
stated in
Europe PubMed Central
PubMed publication ID
12133719
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12133719%20AND%20SRC:MED&resulttype=core&format=json
retrieved
11 November 2019
issue
4
1 reference
stated in
Europe PubMed Central
PubMed publication ID
12133719
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12133719%20AND%20SRC:MED&resulttype=core&format=json
retrieved
11 November 2019
page(s)
447-452
1 reference
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Europe PubMed Central
PubMed publication ID
12133719
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12133719%20AND%20SRC:MED&resulttype=core&format=json
retrieved
11 November 2019
cites work
High-throughput docking for lead generation
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reference URL
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7 January 2021
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Why are proteins marginally stable?
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An analysis of conformational changes on protein-protein association: implications for predictive docking.
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7 January 2021
based on heuristic
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Analysis of a data set of paired uncomplexed protein structures: new metrics for side-chain flexibility and model evaluation.
1 reference
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Crossref
reference URL
https://api.crossref.org/works/10.1016%2FS1367-5931%2802%2900341-1
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7 January 2021
based on heuristic
inferred from DOI database lookup
Side-chain flexibility in proteins upon ligand binding.
1 reference
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Crossref
reference URL
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7 January 2021
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Flexibility and packing in proteins
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reference URL
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7 January 2021
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Folding funnels and binding mechanisms
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7 January 2021
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Binding sites in Escherichia coli dihydrofolate reductase communicate by modulating the conformational ensemble
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7 January 2021
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Multiple diverse ligands binding at a single protein site: a matter of pre-existing populations
1 reference
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Crossref
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https://api.crossref.org/works/10.1016%2FS1367-5931%2802%2900341-1
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7 January 2021
based on heuristic
inferred from DOI database lookup
Ligand docking to proteins with discrete side-chain flexibility.
1 reference
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Crossref
reference URL
https://api.crossref.org/works/10.1016%2FS1367-5931%2802%2900341-1
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7 January 2021
based on heuristic
inferred from DOI database lookup
Docking of flexible ligands to flexible receptors in solution by molecular dynamics simulation.
1 reference
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Crossref
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https://api.crossref.org/works/10.1016%2FS1367-5931%2802%2900341-1
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7 January 2021
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Fully flexible low-mode docking: application to induced fit in HIV integrase.
1 reference
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Crossref
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7 January 2021
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Parallel simulated tempering dynamics of ligand–protein binding with ensembles of protein conformations
1 reference
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https://api.crossref.org/works/10.1016%2FS1367-5931%2802%2900341-1
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7 January 2021
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Molecular docking to ensembles of protein structures
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7 January 2021
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FlexE: efficient molecular docking considering protein structure variations.
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7 January 2021
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Designing non-peptide peptidomimetics in the 21st century: inhibitors targeting conformational ensembles.
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7 January 2021
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GRID/CPCA: a new computational tool to design selective ligands.
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7 January 2021
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Automated docking to multiple target structures: incorporation of protein mobility and structural water heterogeneity in AutoDock
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7 January 2021
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Developing a dynamic pharmacophore model for HIV-1 integrase.
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7 January 2021
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A method for including protein flexibility in protein-ligand docking: improving tools for database mining and virtual screening
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https://api.crossref.org/works/10.1016%2FS1367-5931%2802%2900341-1
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7 January 2021
based on heuristic
inferred from DOI database lookup
Protein flexibility predictions using graph theory
1 reference
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Crossref
reference URL
https://api.crossref.org/works/10.1016%2FS1367-5931%2802%2900341-1
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7 January 2021
based on heuristic
inferred from DOI database lookup
Approaches to solving the rigid receptor problem by identifying a minimal set of flexible residues during ligand docking
1 reference
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Crossref
reference URL
https://api.crossref.org/works/10.1016%2FS1367-5931%2802%2900341-1
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7 January 2021
based on heuristic
inferred from DOI database lookup
Binding mode prediction for a flexible ligand in a flexible pocket using multi-conformation simulated annealing pseudo crystallographic refinement
1 reference
stated in
Crossref
reference URL
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7 January 2021
based on heuristic
inferred from DOI database lookup
Structural genomics programs at the US National Institute of General Medical Sciences
1 reference
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Crossref
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https://api.crossref.org/works/10.1016%2FS1367-5931%2802%2900341-1
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7 January 2021
based on heuristic
inferred from DOI database lookup
Industrial-scale, genomics-based drug design and discovery.
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1016%2FS1367-5931%2802%2900341-1
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Docking of small ligands to low-resolution and theoretically predicted receptor structures.
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1016%2FS1367-5931%2802%2900341-1
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7 January 2021
based on heuristic
inferred from DOI database lookup
Docking ligands onto binding site representations derived from proteins built by homology modelling.
1 reference
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Crossref
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https://api.crossref.org/works/10.1016%2FS1367-5931%2802%2900341-1
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7 January 2021
based on heuristic
inferred from DOI database lookup
Chemogenomic approaches to drug discovery
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7 January 2021
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Structure-based library design: molecular modelling merges with combinatorial chemistry
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7 January 2021
based on heuristic
inferred from DOI database lookup
Design, docking, and evaluation of multiple libraries against multiple targets
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Crossref
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7 January 2021
based on heuristic
inferred from DOI database lookup
New roles for structure in biology and drug discovery
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7 January 2021
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inferred from DOI database lookup
Development of a New Type of Protease Inhibitors, Efficacious against FIV and HIV Variants
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7 January 2021
based on heuristic
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Prediction of potential toxicity and side effect protein targets of a small molecule by a ligand-protein inverse docking approach
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Crossref
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7 January 2021
based on heuristic
inferred from DOI database lookup
Ligand-protein inverse docking and its potential use in the computer search of protein targets of a small molecule
1 reference
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Crossref
reference URL
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7 January 2021
based on heuristic
inferred from DOI database lookup
Complexity and simplicity of ligand-macromolecule interactions: the energy landscape perspective
1 reference
stated in
Crossref
reference URL
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based on heuristic
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Contributions to the binding free energy of ligands to avidin and streptavidin.
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1016%2FS1367-5931%2802%2900341-1
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7 January 2021
based on heuristic
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Identifiers
DOI
10.1016/S1367-5931(02)00341-1
1 reference
stated in
Europe PubMed Central
PubMed publication ID
12133719
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12133719%20AND%20SRC:MED&resulttype=core&format=json
retrieved
11 November 2019
PubMed publication ID
12133719
1 reference
stated in
Europe PubMed Central
PubMed publication ID
12133719
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12133719%20AND%20SRC:MED&resulttype=core&format=json
retrieved
11 November 2019
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