Home
Random
Nearby
Log in
Settings
Donate
About Wikidata
Disclaimers
Search
(Q27656255)
Watch
English
ZINC--a free database of commercially available compounds for virtual screening
scientific article
ZINC − A Free Database of Commercially Available Compounds for Virtual Screening
In more languages
edit
Statements
instance of
scholarly article
1 reference
stated in
Europe PubMed Central
PubMed ID
15667143
retrieved
6 July 2017
title
ZINC--a free database of commercially available compounds for virtual screening
(English)
1 reference
stated in
Europe PubMed Central
PubMed ID
15667143
retrieved
6 July 2017
main subject
data sharing
0 references
database
0 references
ZINC database
0 references
virtual screening
1 reference
based on heuristic
inferred from title
author
John J Irwin
series ordinal
1
object named as
John J Irwin
0 references
Brian K. Shoichet
series ordinal
2
object named as
Brian K Shoichet
0 references
language of work or name
English
0 references
publication date
1 January 2005
1 reference
stated in
Europe PubMed Central
PubMed ID
15667143
retrieved
6 July 2017
published in
Journal of Chemical Information and Modeling
1 reference
stated in
Europe PubMed Central
PubMed ID
15667143
retrieved
6 July 2017
volume
45
1 reference
stated in
Europe PubMed Central
PubMed ID
15667143
retrieved
6 July 2017
page(s)
177-182
1 reference
stated in
Europe PubMed Central
PubMed ID
15667143
retrieved
6 July 2017
issue
1
1 reference
stated in
Europe PubMed Central
PubMed ID
15667143
retrieved
6 July 2017
cites work
A model binding site for testing scoring functions in molecular docking
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1360656
retrieved
20 March 2017
Flexible ligand docking using conformational ensembles
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1360656
retrieved
20 March 2017
From Knowing to Controlling: A Path from Genomics to Drugs Using Small Molecule Probes
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1360656
retrieved
20 March 2017
Approaches to the description and prediction of the binding affinity of small-molecule ligands to macromolecular receptors
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1360656
retrieved
20 March 2017
Improved protein-ligand docking using GOLD
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1360656
retrieved
7 April 2017
The many roles of computation in drug discovery
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1360656
retrieved
29 September 2017
Tautomerism in computer-aided drug design
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1360656
retrieved
29 September 2017
Nuclear hormone receptor targeted virtual screening
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1360656
retrieved
29 September 2017
Distilling the essential features of a protein surface for improving protein-ligand docking, scoring, and virtual screening.
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1360656
retrieved
29 September 2017
Ligand-Info, searching for similar small compounds using index profiles
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1360656
retrieved
29 September 2017
Structure-based virtual screening: an overview
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1360656
retrieved
29 September 2017
Trends in virtual combinatorial library design
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1360656
retrieved
29 September 2017
A review of protein-small molecule docking methods
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1360656
retrieved
29 September 2017
Protein flexibility and drug design: how to hit a moving target.
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1360656
retrieved
29 September 2017
Lead discovery using molecular docking
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1360656
retrieved
29 September 2017
Protein-protein docking with multiple residue conformations and residue substitutions
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1360656
retrieved
29 September 2017
Drug-like properties and the causes of poor solubility and poor permeability
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1360656
retrieved
29 September 2017
Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1360656
retrieved
29 September 2017
The Design of Leadlike Combinatorial Libraries
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1360656
retrieved
29 September 2017
Enhanced CACTVS browser of the Open NCI Database
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1360656
retrieved
2 June 2018
AM1-SM2 and PM3-SM3 parameterized SCF solvation models for free energies in aqueous solution
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1360656
retrieved
2 June 2018
Protein flexibility in ligand docking and virtual screening to protein kinases.
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1360656
retrieved
27 November 2018
Simple, intuitive calculations of free energy of binding for protein-ligand complexes. 2. Computational titration and pH effects in molecular models of neuraminidase-inhibitor complexes
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1360656
retrieved
27 November 2018
Automated docking to multiple target structures: incorporation of protein mobility and structural water heterogeneity in AutoDock
1 reference
stated in
PubMed Central
reference URL
https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1360656
retrieved
27 November 2018
Assessing the performance of OMEGA with respect to retrieving bioactive conformations
1 reference
stated in
PubMed
reference URL
https://pubmed.ncbi.nlm.nih.gov/15667143
retrieved
12 December 2020
based on heuristic
inferred from PubMed ID database lookup
Importance of tautomers in the chemical behavior of tetracyclinesdagger
1 reference
stated in
PubMed
reference URL
https://pubmed.ncbi.nlm.nih.gov/15667143
retrieved
12 December 2020
based on heuristic
inferred from PubMed ID database lookup
Current trends in lead discovery: are we looking for the appropriate properties?
1 reference
stated in
PubMed
reference URL
https://pubmed.ncbi.nlm.nih.gov/15667143
retrieved
12 December 2020
based on heuristic
inferred from PubMed ID database lookup
Reproducing the conformations of protein-bound ligands: a critical evaluation of several popular conformational searching tools
1 reference
stated in
PubMed
reference URL
https://pubmed.ncbi.nlm.nih.gov/15667143
retrieved
12 December 2020
based on heuristic
inferred from PubMed ID database lookup
Identifiers
DOI
10.1021/CI049714
1 reference
stated in
Europe PubMed Central
PubMed ID
15667143
retrieved
6 July 2017
OpenCitations bibliographic resource ID
1024952
1 reference
stated in
Consolidated OpenCitations Corpus – April 2017
OpenCitations bibliographic resource ID
1024952
PMCID
1360656
1 reference
stated in
Europe PubMed Central
PubMed ID
15667143
retrieved
6 July 2017
PubMed ID
15667143
1 reference
stated in
Europe PubMed Central
PubMed ID
15667143
retrieved
6 July 2017
ResearchGate publication ID
8064843
0 references
Sitelinks
Wikipedia
(0 entries)
edit
Wikibooks
(0 entries)
edit
Wikinews
(0 entries)
edit
Wikiquote
(0 entries)
edit
Wikisource
(0 entries)
edit
Wikiversity
(0 entries)
edit
Wikivoyage
(0 entries)
edit
Wiktionary
(0 entries)
edit
Multilingual sites
(0 entries)
edit