(Q36156312)

12 August 2017

Comprehensive prediction of drug-protein interactions and side effects for the human proteome (English)

1 reference

12 August 2017

3

Jeffrey Skolnick

1 reference

12 August 2017

Hongyi Zhou

1

1 reference

PMC publication ID

4603786

12 August 2017

Mu Gao

series ordinal

2

1 reference

PMC publication ID

4603786

12 August 2017

language of work or name

English

0 references

publication date

9 June 2015

1 reference

12 August 2017

1 reference

12 August 2017

5

1 reference

12 August 2017

11090

1 reference

Creative Commons Attribution 4.0 International

12 August 2017

start time

9 June 2015

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

0 references

cites work

Experimental validation of FINDSITE(comb) virtual ligand screening results for eight proteins yields novel nanomolar and micromolar binders

1 reference

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Inferring protein domains associated with drug side effects based on drug-target interaction network

2 October 2017

1 reference

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STITCH 4: integration of protein-chemical interactions with user data

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

A comprehensive survey of small-molecule binding pockets in proteins

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

Predicting Drug-Target Interactions for New Drug Compounds Using a Weighted Nearest Neighbor Profile

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

Interplay of physics and evolution in the likely origin of protein biochemical function

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

Systematic identification of proteins that elicit drug side effects

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

Computational drug repositioning: from data to therapeutics

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

APoc: large-scale identification of similar protein pockets

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

FINDSITE(comb): a threading/structure-based, proteomic-scale virtual ligand screening approach

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

Large-scale prediction and testing of drug activity on side-effect targets

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

Prediction of drug-target interactions and drug repositioning via network-based inference

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

FINDSITE(X): a structure-based, small molecule virtual screening approach with application to all identified human GPCRs

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

Drug repositioning for personalized medicine.

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

The distribution of ligand-binding pockets around protein-protein interfaces suggests a general mechanism for pocket formation

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

ChEMBL: a large-scale bioactivity database for drug discovery

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

PREDICT: a method for inferring novel drug indications with application to personalized medicine

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

DRAR-CPI: a server for identifying drug repositioning potential and adverse drug reactions via the chemical-protein interactome

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

Database identifies FDA-approved drugs with potential to be repurposed for treatment of orphan diseases

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

A map of human genome variation from population-scale sequencing

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

Drug-target interaction prediction from chemical, genomic and pharmacological data in an integrated framework

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

A machine learning approach to predicting protein-ligand binding affinity with applications to molecular docking

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

How significant is a protein structure similarity with TM-score = 0.5?

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

A side effect resource to capture phenotypic effects of drugs

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

Predicting new molecular targets for known drugs

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

Supervised prediction of drug-target interactions using bipartite local models

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

Drug discovery using chemical systems biology: repositioning the safe medicine Comtan to treat multi-drug and extensively drug resistant tuberculosis

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

FINDSITE: a threading-based approach to ligand homology modeling

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

Fr-TM-align: a new protein structural alignment method based on fragment alignments and the TM-score

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

Drug target identification using side-effect similarity

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

Prediction of drug-target interaction networks from the integration of chemical and genomic spaces.

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

A threading-based method (FINDSITE) for ligand-binding site prediction and functional annotation

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

A Computer Program for Classifying Plants

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

Benchmarking sets for molecular docking

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

Global mapping of pharmacological space

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

DrugBank: a comprehensive resource for in silico drug discovery and exploration

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

Scoring function for automated assessment of protein structure template quality

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

Automated structure prediction of weakly homologous proteins on a genomic scale

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

SPICKER: a clustering approach to identify near-native protein folds

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

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

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

Amino acid substitution matrices from protein blocks

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

The Protein Data Bank: a computer-based archival file for macromolecular structures

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

Predicting drug-target interactions using probabilistic matrix factorization

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

Directory of useful decoys, enhanced (DUD-E): better ligands and decoys for better benchmarking

2 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

PROMISCUOUS: a database for network-based drug-repositioning

2 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

Project ranks billions of drug interactions

2 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

23 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

Drug-target interaction prediction by learning from local information and neighbors

23 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

Drug side-effect prediction based on the integration of chemical and biological spaces

23 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

Gaussian interaction profile kernels for predicting drug-target interaction.

23 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

Assessment of programs for ligand binding affinity prediction

23 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

Ligand-protein inverse docking and its potential use in the computer search of protein targets of a small molecule

23 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4603786

Repurposing Strategies for Therapeutics

23 September 2018

1 reference

Crossref

https://api.crossref.org/works/10.1038%2FSREP11090

Contrast agents and mechanisms

21 January 2018

1 reference

Crossref

https://api.crossref.org/works/10.1038%2FSREP11090

7 January 2021

inferred from DOI database lookup

Identifiers

1 reference

https://api.fatcat.wiki/v0/release/4rvb2w7vdvb5fbalbkex2z6mkm

30 July 2022

Dimensions Publication ID

1001507100

0 references

Fatcat ID

release_4rvb2w7vdvb5fbalbkex2z6mkm

1 reference

Fatcat

https://api.fatcat.wiki/v0/release/4rvb2w7vdvb5fbalbkex2z6mkm

30 July 2022

https://api.fatcat.wiki/v0/release/4rvb2w7vdvb5fbalbkex2z6mkm

1 reference

30 July 2022

https://api.fatcat.wiki/v0/release/4rvb2w7vdvb5fbalbkex2z6mkm

PubMed publication ID

1 reference

30 July 2022