PocketQuery: protein-protein interaction inhibitor starting points from protein-protein interaction structure (Q36088526)

12 August 2017

PocketQuery: protein-protein interaction inhibitor starting points from protein-protein interaction structure (English)

1 reference

protein-protein interaction

12 August 2017

0 references

1 reference

David Ryan Koes

1

1 reference

12 August 2017

Carlos J Camacho

series ordinal

2

1 reference

12 August 2017

language of work or name

English

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publication date

20 April 2012

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12 August 2017

Nucleic Acids Research

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12 August 2017

40

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12 August 2017

Web Server issue

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12 August 2017

W387-92

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Creative Commons Attribution-NonCommercial 3.0 Unported

12 August 2017

start time

5 October 2016

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

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cites work

Small-molecule inhibitor starting points learned from protein-protein interaction inhibitor structure

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3394328

The structure-based design of Mdm2/Mdmx-p53 inhibitors gets serious

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3394328

ANCHOR: a web server and database for analysis of protein-protein interaction binding pockets 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=3394328

Rational design of small-molecule inhibitors of the LEDGF/p75-integrase interaction and HIV replication

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3394328

Rationalizing the chemical space of protein-protein interaction inhibitors

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3394328

Prediction of hot spot residues at protein-protein interfaces by combining machine learning and energy-based methods

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3394328

A feature-based approach to modeling protein-protein interaction hot spots.

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3394328

A survey of available tools and web servers for analysis of protein-protein interactions and interfaces

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3394328

Comprehensive in silico mutagenesis highlights functionally important residues 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=3394328

Small molecular weight protein-protein interaction antagonists: an insurmountable challenge?

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3394328

Reaching for high-hanging fruit in drug discovery at protein-protein interfaces

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3394328

Protein-protein interaction hotspots carved into sequences

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3394328

Hot spots--a review of the protein-protein interface determinant amino-acid residues

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3394328

HIV entry inhibitors targeting gp41: from polypeptides to small-molecule compounds

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3394328

CASTp: computed atlas of surface topography of proteins with structural and topographical mapping of functionally annotated residues

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3394328

Between a rock and a hard place?

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3394328

FastContact: rapid estimate of contact and binding free energies

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3394328

ZINC--a free database of commercially available compounds for virtual screening

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3394328

Anchor residues in protein-protein interactions

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3394328

MolSurfer: A macromolecular interface navigator

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3394328

ConSurf: identification of functional regions in proteins by surface-mapping of phylogenetic information

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3394328

Scoring residue conservation

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3394328

An evolutionary trace method defines binding surfaces common to protein families

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3394328

A hot spot of binding energy in a hormone-receptor interface

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3394328

KFC2: a knowledge-based hot spot prediction method based on interface solvation, atomic density, and plasticity features.

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3394328

Computational approaches to identifying and characterizing protein binding sites for ligand design

23 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3394328

Identification of computational hot spots in protein interfaces: combining solvent accessibility and inter-residue potentials improves the accuracy.

23 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3394328

HotSprint: database of computational hot spots in protein interfaces

23 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3394328

Hot regions in protein--protein interactions: the organization and contribution of structurally conserved hot spot residues

23 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3394328

Comparison of site-specific rate-inference methods for protein sequences: empirical Bayesian methods are superior

23 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3394328

Computational alanine scanning of protein-protein interfaces

23 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3394328

Critical review of the role of HTS in drug discovery

23 September 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/22523085

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

An automated decision-tree approach to predicting protein interaction hot spots

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/22523085

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1093/NAR/GKS336

1 reference

12 August 2017

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

12 August 2017

PubMed publication ID

22523085

1 reference