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Parameter choice matters: validating probe parameters for use in mixed-solvent simulations.
scientific article
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instance of
scholarly article
1 reference
stated in
Europe PubMed Central
PMC publication ID
4144759
retrieved
8 November 2017
title
Parameter choice matters: validating probe parameters for use in mixed-solvent simulations.
(English)
1 reference
stated in
Europe PubMed Central
PMC publication ID
4144759
retrieved
8 November 2017
author
Heather A Carlson
series ordinal
3
1 reference
stated in
Europe PubMed Central
PMC publication ID
4144759
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25058662%20AND%20SRC:MED&resulttype=core&format=json
retrieved
13 June 2020
author name string
Katrina W Lexa
series ordinal
1
1 reference
stated in
Europe PubMed Central
PMC publication ID
4144759
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25058662%20AND%20SRC:MED&resulttype=core&format=json
retrieved
13 June 2020
Garrett B Goh
series ordinal
2
1 reference
stated in
Europe PubMed Central
PMC publication ID
4144759
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25058662%20AND%20SRC:MED&resulttype=core&format=json
retrieved
13 June 2020
publication date
1 August 2014
1 reference
stated in
Europe PubMed Central
PMC publication ID
4144759
retrieved
8 November 2017
published in
Journal of Chemical Information and Modeling
1 reference
stated in
Europe PubMed Central
PMC publication ID
4144759
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25058662%20AND%20SRC:MED&resulttype=core&format=json
retrieved
13 June 2020
volume
54
1 reference
stated in
Europe PubMed Central
PMC publication ID
4144759
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25058662%20AND%20SRC:MED&resulttype=core&format=json
retrieved
13 June 2020
issue
8
1 reference
stated in
Europe PubMed Central
PMC publication ID
4144759
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25058662%20AND%20SRC:MED&resulttype=core&format=json
retrieved
13 June 2020
page(s)
2190-2199
1 reference
stated in
Europe PubMed Central
PMC publication ID
4144759
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25058662%20AND%20SRC:MED&resulttype=core&format=json
retrieved
13 June 2020
cites work
Analysis of Flexibility and Hotspots in Bcl-xL and Mcl-1 Proteins for the Design of Selective Small-Molecule Inhibitors
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=4144759
retrieved
3 June 2018
Computational analysis of protein hotspots
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=4144759
retrieved
3 June 2018
Computational identification of a transiently open L1/S3 pocket for reactivation of mutant p53
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=4144759
retrieved
3 June 2018
Improving protocols for protein mapping through proper comparison to crystallography data
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=4144759
retrieved
3 June 2018
Druggability Assessment of Allosteric Proteins by Dynamics Simulations in the Presence of Probe Molecules
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=4144759
retrieved
3 June 2018
Reproducing crystal binding modes of ligand functional groups using Site-Identification by Ligand Competitive Saturation (SILCS) simulations
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=4144759
retrieved
3 June 2018
Full protein flexibility is essential for proper hot-spot mapping.
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=4144759
retrieved
3 June 2018
Computational fragment-based binding site identification by ligand competitive saturation
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=4144759
retrieved
3 June 2018
Binding of small-molecule ligands to proteins: "what you see" is not always "what you get".
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=4144759
retrieved
3 June 2018
Binding site detection and druggability index from first principles.
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=4144759
retrieved
3 June 2018
A poke in the eye: inhibiting HIV-1 protease through its flap-recognition pocket
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=4144759
retrieved
3 June 2018
Small molecule inhibitors of the MDM2-p53 interaction discovered by ensemble-based receptor models.
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=4144759
retrieved
3 June 2018
Exploring experimental sources of multiple protein conformations in structure-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=4144759
retrieved
3 June 2018
Refining the multiple protein structure pharmacophore method: consistency across three independent HIV-1 protease models.
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=4144759
retrieved
3 June 2018
Spectroscopic properties in the liquid phase: combining high-level ab initio calculations and classical molecular dynamics
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=4144759
retrieved
3 June 2018
Molecular modeling of organic and biomolecular systems using BOSS and MCPRO.
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=4144759
retrieved
3 June 2018
Developing a dynamic pharmacophore model for HIV-1 integrase.
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=4144759
retrieved
3 June 2018
Continuum electrostatic analysis of preferred solvation sites around proteins in solution
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=4144759
retrieved
3 June 2018
Locating and characterizing binding sites on 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=4144759
retrieved
3 June 2018
A computational procedure for determining energetically favorable binding sites on biologically important macromolecules
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=4144759
retrieved
3 June 2018
MCSS functionality maps for a flexible protein.
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=4144759
retrieved
26 November 2018
Identifiers
DOI
10.1021/CI400741U
1 reference
stated in
Europe PubMed Central
PMC publication ID
4144759
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25058662%20AND%20SRC:MED&resulttype=core&format=json
retrieved
13 June 2020
DBLP publication ID
journals/jcisd/LexaGC14
1 reference
stated in
DBLP Dataset 2021-01-02
retrieved
28 January 2021
Fatcat ID
release_ija2xcsnmbhvvktueprsetqxz4
1 reference
stated in
Fatcat
reference URL
https://api.fatcat.wiki/v0/release/ija2xcsnmbhvvktueprsetqxz4
retrieved
24 November 2022
based on heuristic
mapped directly with Wikidata item
PMC publication ID
4144759
1 reference
stated in
Europe PubMed Central
PMC publication ID
4144759
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25058662%20AND%20SRC:MED&resulttype=core&format=json
retrieved
13 June 2020
PubMed publication ID
25058662
1 reference
stated in
Europe PubMed Central
PMC publication ID
4144759
reference URL
https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:25058662%20AND%20SRC:MED&resulttype=core&format=json
retrieved
13 June 2020
ResearchGate publication ID
264201382
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