(Q39411048)

11 September 2017

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

1 reference

11 September 2017

0 references

0 references

0 references

Gerard J. P. van Westen

1

1 reference

11 September 2017

5

1 reference

11 September 2017

8

Andreas Bender

1 reference

11 September 2017

Adriaan P Ijzerman

6

0 references

Isidro Cortés-Ciriano

object named as

Isidro Cortes-Ciriano

3

0 references

author name string

Remco F Swier

2

1 reference

11 September 2017

Jörg K Wegner

4

1 reference

11 September 2017

Herman Wt van Vlijmen

7

1 reference

11 September 2017

24 September 2013

1 reference

Journal of Cheminformatics

11 September 2017

1 reference

11 September 2017

5

1 reference

11 September 2017

1

1 reference

11 September 2017

42

1 reference

Creative Commons Attribution 2.0 Generic

11 September 2017

start time

24 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.10.1186/1758-2946-5-42

0 references

cites work

A structural chemogenomics analysis of aminergic GPCRs: lessons for histamine receptor ligand design

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4015169

Genome-scale screening of drug-target associations relevant to Ki using a chemogenomics approach

11 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4015169

Structure-based identification of OATP1B1/3 inhibitors

11 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4015169

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

11 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4015169

propy: a tool to generate various modes of Chou's PseAAC.

11 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4015169

Small and colorful stones make beautiful mosaics: fragment-based chemogenomics

11 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4015169

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

11 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4015169

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

11 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4015169

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

11 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4015169

ChEMBL: a large-scale bioactivity database for drug discovery

11 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4015169

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

11 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4015169

GPCRDB: information system for G protein-coupled receptors

11 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4015169

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

11 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4015169

A novel chemogenomics analysis of G protein-coupled receptors (GPCRs) and their ligands: a potential strategy for receptor de-orphanization

11 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4015169

Extended-connectivity fingerprints

11 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4015169

Interpretable numerical descriptors of amino acid space.

11 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4015169

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

11 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4015169

Virtual screening of GPCRs: an in silico chemogenomics approach

11 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4015169

Proteochemometric modeling of HIV protease susceptibility

11 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4015169

A look inside HIV resistance through retroviral protease interaction maps

11 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4015169

Relating protein pharmacology by ligand chemistry

11 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4015169

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

11 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4015169

PROFEAT: a web server for computing structural and physicochemical features of proteins and peptides from amino acid sequence

11 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4015169

Prediction of indirect interactions in proteins

11 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4015169

Melanocortin receptors: ligands and proteochemometrics modeling

11 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4015169

Protein flexibility and drug design: how to hit a moving target.

11 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4015169

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

11 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4015169

Assessing the accuracy of prediction algorithms for classification: an overview

11 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4015169

JOY: protein sequence-structure representation and analysis.

11 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4015169

Neighborhood behavior: a useful concept for validation of "molecular diversity" descriptors

11 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4015169

Comparison of the predicted and observed secondary structure of T4 phage lysozyme

11 September 2017

2 references

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4015169

11 September 2017

https://api.crossref.org/works/10.1186%2F1758-2946-5-42

Mining protein dynamics from sets of crystal structures using "consensus structures".

21 January 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4015169

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

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4015169

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

14 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4015169

Update of the drug resistance mutations in HIV-1: March 2013.

15 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4015169

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

15 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4015169

Peptide quantitative structure-activity relationships, a multivariate approach.

15 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4015169

Comparison of confirmed inactive and randomly selected compounds as negative training examples in support vector machine-based virtual screening

15 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4015169

A ligand's-eye view of protein similarity

21 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4015169

Proteochemometrics mapping of the interaction space for retroviral proteases and their substrates

21 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4015169

Proteochemometric modeling of drug resistance over the mutational space for multiple HIV protease variants and multiple protease inhibitors

21 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4015169

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

21 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4015169

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

21 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4015169

21 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4015169

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

21 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4015169

Virtual screen for ligands of orphan G protein-coupled receptors

21 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4015169

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

21 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4015169

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

21 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4015169

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

21 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4015169

Amino Acid Side Chain Descriptors for Quantitative Structure-Activity Relationship Studies of Peptide Analogs

21 August 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/24059743

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Minimum analogue peptide sets (MAPS) for quantitative structure-activity relationships

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/24059743

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

A chemogenomic analysis of the transmembrane binding cavity of human G-protein-coupled receptors

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/24059743

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Individual Comparisons by Ranking Methods

1 reference

COCI

https://opencitations.net/index/coci/api/v1/references/10.1186/1758-2946-5-42

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/10.1186/1758-2946-5-42

25 March 2023

Identifiers

DOI

10.1186/1758-2946-5-42

1 reference

journals/jcheminf/WestenSCWOIVB13

11 September 2017

1 reference

DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

1 reference

9 September 2019

https://scigraph.springernature.com/pub.10.1186/1758-2946-5-42

1 reference

11 September 2017

PubMed publication ID

24059743

1 reference