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

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

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

http://www.wikidata.org/entity/Q27656255

about

sameAs

Targeting fatty acid binding protein (FABP) anandamide transporters - a novel strategy for development of anti-inflammatory and anti-nociceptive drugs Prospecting for novel plant-derived molecules of Rauvolfia serpentina as inhibitors of Aldose Reductase, a potent drug target for diabetes and its complications PubChemSR: a search and retrieval tool for PubChem BitterDB: a database of bitter compounds Bioinformatics and systems biology of the lipidome Computer-based identification of a novel LIMK1/2 inhibitor that synergizes with salirasib to destabilize the actin cytoskeleton Prospective virtual screening with Ultrafast Shape Recognition: the identification of novel inhibitors of arylamine N-acetyltransferases CDK-Taverna: an open workflow environment for cheminformatics Crystal structure-based virtual screening for fragment-like ligands of the human histamine H(1) receptor Structure-based activity prediction for an enzyme of unknown function Predicting new molecular targets for known drugs Identification of a chemical probe for NAADP by virtual screening BindingDB: a web-accessible database of experimentally determined protein-ligand binding affinities The P450 CYP6Z1 confers carbamate/pyrethroid cross-resistance in a major African malaria vector beside a novel carbamate-insensitive N485I acetylcholinesterase-1 mutation The Cytochrome P450 gene CYP6P12 confers pyrethroid resistance in kdr-free Malaysian populations of the dengue vector Aedes albopictus Drug Repurposing Is a New Opportunity for Developing Drugs against Neuropsychiatric Disorders How special is the biochemical function of native proteins?Computational drug design strategies applied to the modelling of human immunodeficiency virus-1 reverse transcriptase inhibitors Charting a Path to Success in Virtual Screening An Overview of the Challenges in Designing, Integrating, and Delivering BARD: A Public Chemical-Biology Resource and Query Portal for Multiple Organizations, Locations, and Disciplines Chemical structure identification in metabolomics: computational modeling of experimental features Predicting monoamine oxidase inhibitory activity through ligand-based models Computational methods in drug discovery Chemical basis of interactions between engineered nanoparticles and biological systems Molecular Chemometrics Seven Golden Rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometry SwissParam: A fast force field generation tool for small organic molecules SwissDock, a protein-small molecule docking web service based on EADock DSS Shifting from the single to the multitarget paradigm in drug discovery Rational design of small molecule inhibitors targeting the Ras GEF, SOS1.Impact of similarity threshold on the topology of molecular similarity networks and clustering outcomes.A virtual screen discovers novel, fragment-sized inhibitors of Mycobacterium tuberculosis InhA Search for β2 adrenergic receptor ligands by virtual screening via grid computing and investigation of binding modes by docking and molecular dynamics simulations Cinfony – combining Open Source cheminformatics toolkits behind a common interface Structural genomics of protein phosphatases Rescoring Docking Hit Lists for Model Cavity Sites: Predictions and Experimental Testing Comprehensive Mechanistic Analysis of Hits from High-Throughput and Docking Screens against β-Lactamase X-ray structure of the [FeFe]-hydrogenase maturase HydE from Thermotoga maritima HIV-1 Protease Inhibitors from Inverse Design in the Substrate Envelope Exhibit Subnanomolar Binding to Drug-Resistant Variants Targeted rescue of a destabilized mutant of p53 by an in silico screened drug

P2860

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P2860

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

http://www.wikidata.org/entity/Q27656255

description

2005 nî lūn-bûn

@nan

2005 թուականի Յունուարին հրատարակուած գիտական յօդուած

@hyw

2005 թվականի հունվարին հրատարակված գիտական հոդված

@hy

2005年の論文

@ja

2005年論文

@yue

2005年論文

@zh-hant

2005年論文

@zh-hk

2005年論文

@zh-mo

2005年論文

@zh-tw

2005年论文

@wuu

name

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

@ast

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

@en

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

@nl

type

label

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

@ast

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

@en

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

@nl

altLabel

ZINC − A Free Database of Commercially Available Compounds for Virtual Screening

@en

ZINC − A Free Database of Commercially Available Compounds for Virtual Screening

@nl

prefLabel

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

@ast

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

@en

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

@nl

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Journal of Chemical Information and Modeling

P1476

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

@en

P2860

Flexible ligand docking using conformational ensembles

A model binding site for testing scoring functions in molecular docking

From knowing to controlling: a path from genomics to drugs using small molecule probes

Approaches to the description and prediction of the binding affinity of small-molecule ligands to macromolecular receptors

Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties

Improved protein-ligand docking using GOLD

Distilling the essential features of a protein surface for improving protein-ligand docking, scoring, and virtual screening.

Drug-like properties and the causes of poor solubility and poor permeability.

The Design of Leadlike Combinatorial Libraries.

Nuclear hormone receptor targeted virtual screening.

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177-182

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scholarly article

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1024952

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10.1021/CI049714+

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1

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45

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Brian K. Shoichet

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2005-01-01T00:00:00Z

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8064843

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15667143

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1360656

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