(Q28306830)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24475049%20AND%20SRC:MED&resulttype=core&format=json

6 March 2020

title

istar: a web platform for large-scale protein-ligand docking (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24475049%20AND%20SRC:MED&resulttype=core&format=json

6 March 2020

3

1 reference

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6 March 2020

author name string

Hongjian Li

series ordinal

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24475049%20AND%20SRC:MED&resulttype=core&format=json

6 March 2020

Kwong-Sak Leung

series ordinal

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24475049%20AND%20SRC:MED&resulttype=core&format=json

6 March 2020

Man-Hon Wong

series ordinal

4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24475049%20AND%20SRC:MED&resulttype=core&format=json

6 March 2020

language of work or name

English

0 references

publication date

24 January 2014

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24475049%20AND%20SRC:MED&resulttype=core&format=json

6 March 2020

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24475049%20AND%20SRC:MED&resulttype=core&format=json

6 March 2020

volume

9

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24475049%20AND%20SRC:MED&resulttype=core&format=json

6 March 2020

issue

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24475049%20AND%20SRC:MED&resulttype=core&format=json

6 March 2020

page(s)

e85678

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24475049%20AND%20SRC:MED&resulttype=core&format=json

Creative Commons Attribution 4.0 International

6 March 2020

copyright license

start time

24 January 2014

1 reference

April 2022 Public Data File from Crossref

copyright status

copyrighted

0 references

cites work

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

1 reference

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Automated docking screens: a feasibility study

20 March 2017

1 reference

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AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901662

DOCK 6: combining techniques to model RNA-small molecule complexes

20 March 2017

1 reference

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

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901662

Announcing the worldwide Protein Data Bank

20 March 2017

1 reference

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20 March 2017

The Protein Data Bank

1 reference

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TCM Database@Taiwan: the world's largest traditional Chinese medicine database for drug screening in silico

20 March 2017

1 reference

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Virtual screening for HIV protease inhibitors: a comparison of AutoDock 4 and Vina

20 March 2017

1 reference

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AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

20 March 2017

1 reference

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ZINC: a free tool to discover chemistry for biology

7 April 2017

1 reference

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Hierarchical virtual screening for the discovery of new molecular scaffolds in antibacterial hit identification

7 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901662

Integrating medicinal chemistry, organic/combinatorial chemistry, and computational chemistry for the discovery of selective estrogen receptor modulators with Forecaster, a novel platform for drug discovery.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901662

AUDocker LE: A GUI for virtual screening with AUTODOCK Vina

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901662

VSDK: Virtual screening of small molecules using AutoDock Vina on Windows platform

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901662

Structure-based drug design to augment hit discovery

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901662

CSAR benchmark exercise of 2010: selection of the protein-ligand complexes.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901662

Comments on "leave-cluster-out cross-validation is appropriate for scoring functions derived from diverse protein data sets": significance for the validation of scoring functions.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901662

MOLA: a bootable, self-configuring system for virtual screening using AutoDock4/Vina on computer clusters.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901662

Ligand docking and binding site analysis with PyMOL and Autodock/Vina

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901662

Protein pockets: inventory, shape, and comparison

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901662

Binding MOAD, a high-quality protein-ligand database.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901662

Towards the development of universal, fast and highly accurate docking/scoring methods: a long way to go.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901662

The PDBbind database: methodologies and updates

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901662

The PDBbind database: collection of binding affinities for protein-ligand complexes with known three-dimensional structures

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901662

Discovery of a novel binding trench in HIV integrase.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901662

Further development and validation of empirical scoring functions for structure-based binding affinity prediction

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901662

Multilevel Parallelization of AutoDock 4.2.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3901662

Parallel implementation ofAutoDock

2 June 2018

1 reference

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VSDocker: a tool for parallel high-throughput virtual screening using AutoDock on Windows-based computer clusters.

21 January 2018

1 reference

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Selective flexibility of side-chain residues improves VEGFR-2 docking score using AutoDock Vina.

21 January 2018

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Empirical scoring functions for advanced protein-ligand docking with PLANTS.

21 January 2018

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Accelerating molecular docking calculations using graphics processing units.

21 January 2018

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LEA3D: a computer-aided ligand design for structure-based drug design.

21 January 2018

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Docking ligands into flexible and solvated macromolecules. 1. Development and validation of FITTED 1.0.

21 January 2018

1 reference

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ID-Score: a new empirical scoring function based on a comprehensive set of descriptors related to protein-ligand interactions

21 January 2018

1 reference

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Comparative assessment of scoring functions on a diverse test set.

21 January 2018

1 reference

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iScreen: world's first cloud-computing web server for virtual screening and de novo drug design based on TCM database@Taiwan

21 January 2018

1 reference

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Binding MOAD (Mother Of All Databases)

27 November 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/24475049

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Random Forests

1 reference

Astrophysics Data System

15 December 2022

https://ui.adsabs.harvard.edu/abs/2001MachL..45....5B/citations

Identifiers

DOI

10.1371/JOURNAL.PONE.0085678

2 references

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24475049%20AND%20SRC:MED&resulttype=core&format=json

6 March 2020

ADS bibcode

2014PLoSO...985678L

0 references

1 reference

2 references

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24475049%20AND%20SRC:MED&resulttype=core&format=json

6 March 2020

PubMed publication ID

24475049

2 references

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:24475049%20AND%20SRC:MED&resulttype=core&format=json