(Q36010254)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27151202%20AND%20SRC:MED&resulttype=core&format=json

4 April 2020

title

CSM-lig: a web server for assessing and comparing protein-small molecule affinities (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27151202%20AND%20SRC:MED&resulttype=core&format=json

4 April 2020

1 reference

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27151202%20AND%20SRC:MED&resulttype=core&format=json

4 April 2020

David B Ascher

series ordinal

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27151202%20AND%20SRC:MED&resulttype=core&format=json

4 April 2020

1

Douglas E V Pires

1 reference

11 August 2017

2

David B Ascher

1 reference

11 August 2017

language of work or name

English

0 references

publication date

5 May 2016

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27151202%20AND%20SRC:MED&resulttype=core&format=json

4 April 2020

published in

Nucleic Acids Research

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27151202%20AND%20SRC:MED&resulttype=core&format=json

4 April 2020

volume

44

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27151202%20AND%20SRC:MED&resulttype=core&format=json

4 April 2020

issue

W1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27151202%20AND%20SRC:MED&resulttype=core&format=json

4 April 2020

page(s)

W557-61

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27151202%20AND%20SRC:MED&resulttype=core&format=json

Creative Commons Attribution 4.0 International

4 April 2020

copyright license

start time

14 November 2016

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

0 references

cites work

pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures.

1 reference

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Improvements, trends, and new ideas in molecular docking: 2012-2013 in review.

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4987933

PDB-wide collection of binding data: current status of the PDBbind database

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4987933

Challenges, applications, and recent advances of protein-ligand docking in structure-based drug design.

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4987933

Potent hepatitis C inhibitors bind directly to NS5A and reduce its affinity for RNA.

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4987933

Comparative assessment of scoring functions on an updated benchmark: 1. Compilation of the test set.

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4987933

Comparative assessment of scoring functions on an updated benchmark: 2. Evaluation methods and general results

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4987933

Does a more precise chemical description of protein-ligand complexes lead to more accurate prediction of binding affinity?

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4987933

Nonlinear scoring functions for similarity-based ligand docking and binding affinity prediction

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4987933

Cutoff Scanning Matrix (CSM): structural classification and function prediction by protein inter-residue distance patterns

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4987933

CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4987933

Development of cognitive enhancers based on inhibition of insulin-regulated aminopeptidase

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4987933

Identification of modulating residues defining the catalytic cleft of insulin-regulated aminopeptidase

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4987933

A semiempirical free energy force field with charge-based desolvation

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4987933

A critical assessment of docking programs and scoring functions

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4987933

2 October 2017

PMF scoring revisited

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4987933

DrugScore(CSD)-knowledge-based scoring function derived from small molecule crystal data with superior recognition rate of near-native ligand poses and better affinity prediction

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4987933

Development and testing of a general amber force field

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4987933

Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4987933

Crystal structure of human insulin-regulated aminopeptidase with specificity for cyclic peptides.

2 October 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4987933

mCSM: predicting the effects of mutations in proteins using graph-based signatures.

11 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4987933

aCSM: noise-free graph-based signatures to large-scale receptor-based ligand prediction.

11 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4987933

Identification and characterization of a new cognitive enhancer based on inhibition of insulin-regulated aminopeptidase.

23 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4987933

Protein cutoff scanning: A comparative analysis of cutoff dependent and cutoff free methods for prospecting contacts in proteins.

23 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4987933

Computational protocol for predicting the binding affinities of zinc containing metalloprotein-ligand complexes

23 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=4987933

Exploring the chemical space of the lysine-binding pocket of the first kringle domain of hepatocyte growth factor/scatter factor (HGF/SF) yields a new class of inhibitors of HGF/SF-MET binding

23 September 2018

1 reference

Crossref

https://api.crossref.org/works/10.1093%2FNAR%2FGKW390

An all atom energy based computational protocol for predicting binding affinities of protein-ligand complexes

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/27151202

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1093/NAR/GKW390

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27151202%20AND%20SRC:MED&resulttype=core&format=json

4 April 2020

DBLP publication ID

journals/nar/PiresA16a

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:27151202%20AND%20SRC:MED&resulttype=core&format=json

4 April 2020

PubMed publication ID

27151202

1 reference