(Q30364721)

30 September 2017

PocketPicker: analysis of ligand binding-sites with shape descriptors. (English)

1 reference

30 September 2017

1 reference

3

Gisbert Schneider

1 reference

30 September 2017

2

Ewgenij Proschak

1 reference

30 September 2017

Martin Weisel

1

1 reference

30 September 2017

13 March 2007

1 reference

Chemistry Central Journal

30 September 2017

1 reference

30 September 2017

1

1 reference

30 September 2017

7

1 reference

Creative Commons Attribution 2.0 Generic

30 September 2017

start time

13 March 2007

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

0 references

cites work

LIGSITEcsc: predicting ligand binding sites using the Connolly surface and degree of conservation

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1994066

Pocketome via comprehensive identification and classification of ligand binding envelopes.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1994066

Real spherical harmonic expansion coefficients as 3D shape descriptors for protein binding pocket and ligand comparisons.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1994066

Comprehensive identification of "druggable" protein ligand binding sites.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1994066

The ConSurf-HSSP database: the mapping of evolutionary conservation among homologs onto PDB structures.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1994066

Detection, delineation, measurement and display of cavities in macromolecular structures

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1994066

Subatomic and atomic crystallographic studies of aldose reductase: implications for inhibitor binding.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1994066

Ligand binding: functional site location, similarity and docking

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1994066

CASTp: Computed Atlas of Surface Topography of proteins

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1994066

Identification and mapping of small-molecule binding sites in proteins: computational tools for structure-based drug design

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1994066

Recent advances in structure-based rational drug design.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1994066

Recent developments in structure-based drug design

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1994066

3 June 2018

The Protein Data Bank

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1994066

Anatomy of protein pockets and cavities: measurement of binding site geometry and implications for ligand design

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1994066

Protein clefts in molecular recognition and function

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1994066

The automatic search for ligand binding sites in proteins of known three-dimensional structure using only geometric criteria.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1994066

SURFNET: a program for visualizing molecular surfaces, cavities, and intermolecular interactions

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1994066

Cavity search: an algorithm for the isolation and display of cavity-like binding regions.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1994066

POCKET: a computer graphics method for identifying and displaying protein cavities and their surrounding amino acids

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1994066

Travel depth, a new shape descriptor for macromolecules: application to ligand binding.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1994066

A method for localizing ligand binding pockets in protein structures

26 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1994066

Q-SiteFinder: an energy-based method for the prediction of protein-ligand binding sites.

26 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1994066

Probing flexibility and "induced-fit" phenomena in aldose reductase by comparative crystal structure analysis and molecular dynamics simulations

26 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1994066

Fast prediction and visualization of protein binding pockets with PASS.

26 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1994066

Mapping of protein surface cavities and prediction of enzyme class by a self-organizing neural network.

26 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1994066

LIGSITE: automatic and efficient detection of potential small molecule-binding sites in proteins

26 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1994066

26 November 2018

Identifiers

DOI

10.1186/1752-153X-1-7

1 reference

30 September 2017

1 reference

PMC publication ID

1994066

30 September 2017

PubMed publication ID

17880740

1 reference

PMC publication ID

1994066