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English
Small molecule binding to proteins: affinity and binding/unbinding dynamics from atomistic simulations
scientific article published on 14 June 2011
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scholarly article
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Europe PubMed Central
PubMed publication ID
21674810
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21674810%20AND%20SRC:MED&resulttype=core&format=json
retrieved
4 February 2020
title
Small molecule binding to proteins: affinity and binding/unbinding dynamics from atomistic simulations
(English)
1 reference
stated in
Europe PubMed Central
PubMed publication ID
21674810
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21674810%20AND%20SRC:MED&resulttype=core&format=json
retrieved
4 February 2020
author
Amedeo Caflisch
series ordinal
2
object named as
Amedeo Caflisch
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Europe PubMed Central
PubMed publication ID
21674810
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21674810%20AND%20SRC:MED&resulttype=core&format=json
retrieved
4 February 2020
author name string
Danzhi Huang
series ordinal
1
1 reference
stated in
Europe PubMed Central
PubMed publication ID
21674810
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21674810%20AND%20SRC:MED&resulttype=core&format=json
retrieved
4 February 2020
publication date
14 June 2011
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Europe PubMed Central
PubMed publication ID
21674810
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21674810%20AND%20SRC:MED&resulttype=core&format=json
retrieved
4 February 2020
published in
ChemMedChem
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Europe PubMed Central
PubMed publication ID
21674810
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21674810%20AND%20SRC:MED&resulttype=core&format=json
retrieved
4 February 2020
volume
6
1 reference
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Europe PubMed Central
PubMed publication ID
21674810
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21674810%20AND%20SRC:MED&resulttype=core&format=json
retrieved
4 February 2020
issue
9
1 reference
stated in
Europe PubMed Central
PubMed publication ID
21674810
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21674810%20AND%20SRC:MED&resulttype=core&format=json
retrieved
4 February 2020
page(s)
1578-1580
1 reference
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Europe PubMed Central
PubMed publication ID
21674810
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21674810%20AND%20SRC:MED&resulttype=core&format=json
retrieved
4 February 2020
cites work
Discovering high-affinity ligands for proteins: SAR by NMR
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.201100237
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Integration of fragment screening and library design
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.201100237
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Computational fragment-based binding site identification by ligand competitive saturation
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.201100237
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Binding site detection and druggability index from first principles.
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.201100237
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Change of the unbinding mechanism upon a mutation: a molecular dynamics study of an antibody-hapten complex
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.201100237
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Absolute FKBP binding affinities obtained via nonequilibrium unbinding simulations
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.201100237
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Single-molecule pulling simulations can discern active from inactive enzyme inhibitors
1 reference
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Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.201100237
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Ligand unbinding from the estrogen receptor: a computational study of pathways and ligand specificity
1 reference
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Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.201100237
retrieved
7 January 2021
based on heuristic
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Toward the rational design of p53-stabilizing drugs: probing the surface of the oncogenic Y220C mutant
1 reference
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Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.201100237
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
The free energy landscape of small molecule unbinding
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.201100237
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Use of organic solvents and small molecules for locating binding sites on proteins in solutions
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.201100237
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
CHARMM: the biomolecular simulation program
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.201100237
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Wordom: a program for efficient analysis of molecular dynamics simulations.
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.201100237
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
X-ray structures of small ligand-FKBP complexes provide an estimate for hydrophobic interaction energies
1 reference
stated in
Crossref
reference URL
https://api.crossref.org/works/10.1002%2FCMDC.201100237
retrieved
7 January 2021
based on heuristic
inferred from DOI database lookup
Identifiers
DOI
10.1002/CMDC.201100237
1 reference
stated in
Europe PubMed Central
PubMed publication ID
21674810
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21674810%20AND%20SRC:MED&resulttype=core&format=json
retrieved
4 February 2020
PubMed publication ID
21674810
1 reference
stated in
Europe PubMed Central
PubMed publication ID
21674810
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21674810%20AND%20SRC:MED&resulttype=core&format=json
retrieved
4 February 2020
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