Benchmarking of protein descriptor sets in proteochemometric modeling (part 1): comparative study of 13 amino acid descriptor sets (Q41760025)

9 October 2017

Benchmarking of protein descriptor sets in proteochemometric modeling (part 1): comparative study of 13 amino acid descriptor sets (English)

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9 October 2017

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Gerard J. P. van Westen

series ordinal

1

1 reference

9 October 2017

4

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9 October 2017

6

Andreas Bender

1 reference

9 October 2017

Remco F Swier

2

1 reference

9 October 2017

Jörg K Wegner

series ordinal

3

1 reference

9 October 2017

Herman Wt van Vlijmen

series ordinal

5

1 reference

9 October 2017

23 September 2013

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Journal of Cheminformatics

9 October 2017

1 reference

9 October 2017

5

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9 October 2017

41

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9 October 2017

1

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Creative Commons Attribution 2.0 Generic

9 October 2017

start time

23 September 2013

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

1 reference

April 2022 Public Data File from Crossref

exact match

https://scigraph.springernature.com/pub.10.1186/1758-2946-5-41

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cites work

Benchmarking of protein descriptor sets in proteochemometric modeling (part 2): modeling performance of 13 amino acid descriptor sets

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3848949

Structure-based identification of OATP1B1/3 inhibitors

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3848949

Significantly improved HIV inhibitor efficacy prediction employing proteochemometric models generated from antivirogram data

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3848949

Identifying novel adenosine receptor ligands by simultaneous proteochemometric modeling of rat and human bioactivity data

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3848949

Protein-ligand-based pharmacophores: generation and utility assessment in computational ligand profiling

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3848949

Which compound to select in lead optimization? Prospectively validated proteochemometric models guide preclinical development

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3848949

Chemogenomics approaches for receptor deorphanization and extensions of the chemogenomics concept to phenotypic space

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3848949

Kinome-wide interaction modelling using alignment-based and alignment-independent approaches for kinase description and linear and non-linear data analysis techniques

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3848949

Interpretable numerical descriptors of amino acid space.

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3848949

Crystal structure of an avian influenza polymerase PA(N) reveals an endonuclease active site

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3848949

Interaction model based on local protein substructures generalizes to the entire structural enzyme-ligand space.

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3848949

Virtual screening of GPCRs: an in silico chemogenomics approach

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3848949

Proteochemometric modeling of HIV protease susceptibility

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3848949

A look inside HIV resistance through retroviral protease interaction maps

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3848949

Generalized modeling of enzyme-ligand interactions using proteochemometrics and local protein substructures

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3848949

Prediction of indirect interactions in proteins

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3848949

Melanocortin receptors: ligands and proteochemometrics modeling

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3848949

Development of proteo-chemometrics: a novel technology for the analysis of drug-receptor interactions

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3848949

AAindex: Amino Acid Index Database.

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3848949

New chemical descriptors relevant for the design of biologically active peptides. A multivariate characterization of 87 amino acids.

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3848949

Quantitative sequence-activity models (QSAM)--tools for sequence design

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3848949

Peptide quantitative structure-activity relationships, a multivariate approach.

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3848949

Amino acid substitution matrices from protein blocks

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3848949

Alignment-free ultra-high-throughput comparison of druggable protein-ligand binding sites

6 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3848949

ST-scale as a novel amino acid descriptor and its application in QSAM of peptides and analogues.

18 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3848949

Development and validation of a novel protein-ligand fingerprint to mine chemogenomic space: application to G protein-coupled receptors and their ligands.

18 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3848949

18 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3848949

Gaussian process: an alternative approach for QSAM modeling of peptides.

18 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3848949

Virtual screen for ligands of orphan G protein-coupled receptors

18 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3848949

A physicogenetic method to assign ligand-binding relationships between 7TM receptors

18 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3848949

A new set of amino acid descriptors and its application in peptide QSARs.

18 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3848949

Proteochemometrics modeling of the interaction of amine G-protein coupled receptors with a diverse set of ligands

18 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3848949

Amino acid side chain descriptors for quantitative structure-activity relationship studies of peptide analogues

18 August 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/24059694

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Analytical molecular surface calculation

1 reference

COCI

https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-5-41

Proteochemometric modeling as a tool to design selective compounds and for extrapolating to novel targets

25 March 2023

1 reference

COCI

https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-5-41

25 March 2023

Identifiers

DOI

10.1186/1758-2946-5-41

1 reference

journals/jcheminf/WestenSWIVB13

9 October 2017

1 reference

DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

1 reference

9 September 2019

https://scigraph.springernature.com/pub.10.1186/1758-2946-5-41

1 reference

9 October 2017

1 reference