(Q35205302)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21918604%20AND%20SRC:MED&resulttype=core&format=json

12 February 2020

title

A method to enhance the hit ratio by a combination of structure-based drug screening and ligand-based screening (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21918604%20AND%20SRC:MED&resulttype=core&format=json

12 February 2020

0 references

4

Haruki Nakamura

1 reference

PubMed publication ID

7 August 2017

Katsumi Omagari

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21918604%20AND%20SRC:MED&resulttype=core&format=json

12 February 2020

Daisuke Mitomo

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21918604%20AND%20SRC:MED&resulttype=core&format=json

12 February 2020

Satoru Kubota

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21918604%20AND%20SRC:MED&resulttype=core&format=json

12 February 2020

Yoshifumi Fukunishi

5

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21918604%20AND%20SRC:MED&resulttype=core&format=json

12 February 2020

Haruki Nakamura

4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21918604%20AND%20SRC:MED&resulttype=core&format=json

12 February 2020

publication date

12 August 2008

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21918604%20AND%20SRC:MED&resulttype=core&format=json

Advances and Applications in Bioinformatics and Chemistry

12 February 2020

published in

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21918604%20AND%20SRC:MED&resulttype=core&format=json

12 February 2020

volume

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21918604%20AND%20SRC:MED&resulttype=core&format=json

12 February 2020

page(s)

19-28

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21918604%20AND%20SRC:MED&resulttype=core&format=json

An efficient in silico screening method based on the protein-compound affinity matrix and its application to the design of a focused library for cytochrome P450 (CYP) ligands

12 February 2020

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3169939

A critical assessment of docking programs and scoring functions

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3169939

Comparison of consensus scoring strategies for evaluating computational models of protein-ligand complexes

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3169939

Classification of chemical compounds by protein-compound docking for use in designing a focused library.

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3169939

Evaluation of library ranking efficacy in virtual screening

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3169939

Kinases, Homology Models, and High Throughput Docking

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3169939

A new test set for validating predictions of protein-ligand interaction.

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3169939

Consensus scoring for ligand/protein interactions

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3169939

How does consensus scoring work for virtual library screening? An idealized computer experiment

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3169939

Development and validation of a genetic algorithm for flexible docking

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3169939

What do we know and when do we know it?

28 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3169939

Alternative global goodness metrics and sensitivity analysis: heuristics to check the robustness of conclusions from studies comparing virtual screening methods.

26 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3169939

Incorporating dynamics in E. coli dihydrofolate reductase enhances structure-based drug discovery.

26 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3169939

Supervised consensus scoring for docking and virtual screening.

26 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3169939

Noise reduction method for molecular interaction energy: application to in silico drug screening and in silico target protein screening.

26 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3169939

Assessing different classification methods for virtual screening.

26 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3169939

Combination of a modified scoring function with two-dimensional descriptors for calculation of binding affinities of bulky, flexible ligands to proteins.

26 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3169939

Consensus scoring criteria for improving enrichment in virtual screening

26 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3169939

Application of machine learning to improve the results of high-throughput docking against the HIV-1 protease.

26 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3169939

Combination of a naive Bayes classifier with consensus scoring improves enrichment of high-throughput docking results.

26 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3169939

Molecular modeling of protein function regions.

26 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3169939

Finding more needles in the haystack: A simple and efficient method for improving high-throughput docking results.

26 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3169939

Performance of 3D-database molecular docking studies into homology models

26 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3169939

Multiple active site corrections for docking and virtual screening.

26 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3169939

Information decay in molecular docking screens against holo, apo, and modeled conformations of enzymes

26 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3169939

Comparative evaluation of 11 scoring functions for molecular docking

26 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3169939

Protein-based virtual screening of chemical databases. II. Are homology models of G-Protein Coupled Receptors suitable targets?

26 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3169939

Consensus scoring: A method for obtaining improved hit rates from docking databases of three-dimensional structures into proteins.

26 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3169939

A fast flexible docking method using an incremental construction algorithm.

26 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3169939

26 September 2018

1 reference

12 December 2020

Multiple target screening method for robust and accurate in silico ligand screening

1 reference

12 December 2020

Finding ligands for G protein-coupled receptors based on the protein-compound affinity matrix

1 reference

12 December 2020

A virtual active compound produced from the negative image of a ligand-binding pocket, and its application to in-silico drug screening

1 reference

12 December 2020

Prediction of protein-ligand complex structure by docking software guided by other complex structures

1 reference

12 December 2020

Identifiers

DOI

10.2147/AABC.S3767

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21918604%20AND%20SRC:MED&resulttype=core&format=json

12 February 2020

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:21918604%20AND%20SRC:MED&resulttype=core&format=json

12 February 2020

PubMed publication ID

21918604

1 reference