Prediction of potential toxicity and side effect protein targets of a small molecule by a ligand-protein inverse docking approach
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Insights into an original pocket-ligand pair classification: a promising tool for ligand profile predictionBuilding a virtual ligand screening pipeline using free software: a surveyGenome-wide characterisation of the binding repertoire of small molecule drugs.Target fishing for chemical compounds using target-ligand activity data and ranking based methods.The interprotein scoring noises in glide docking scores.Virtual target screening: validation using kinase inhibitors.VinaMPI: facilitating multiple receptor high-throughput virtual docking on high-performance computers.TarFisDock: a web server for identifying drug targets with docking approach.Predictive in silico off-target profiling in drug discovery.In-silico prediction of drug targets, biological activities, signal pathways and regulating networks of dioscin based on bioinformatics.Database of traditional Chinese medicine and its application to studies of mechanism and to prescription validationDrug bioactivation, covalent binding to target proteins and toxicity relevance.The scoring bias in reverse docking and the score normalization strategy to improve success rate of target fishing.Quantitative prediction of antitarget interaction profiles for chemical compounds.In Silico Insight into Potential Anti-Alzheimer's Disease Mechanisms of Icariin.Identification of Toxic Pyrrolizidine Alkaloids and Their Common Hepatotoxicity Mechanism.In silico pharmacology for drug discovery: methods for virtual ligand screening and profiling.Exploring the ligand-protein networks in traditional chinese medicine: current databases, methods, and applicationsAccelerating Virtual High-Throughput Ligand Docking: current technology and case study on a petascale supercomputer.Computational drug discovery.Reverse docking: a powerful tool for drug repositioning and drug rescue.In Silico Identification of Proteins Associated with Drug-induced Liver Injury Based on the Prediction of Drug-target Interactions.A comparative reverse docking strategy to identify potential antineoplastic targets of tea functional components and binding mode.Toxicophore exploration as a screening technology for drug design and discovery: techniques, scope and limitations.Polypharmacology in Drug Development: A Minireview of Current Technologies.Using reverse docking for target identification and its applications for drug discovery.Using reverse docking to identify potential targets for ginsenosides.Computer automated prediction of potential therapeutic and toxicity protein targets of bioactive compounds from Chinese medicinal plants.Rare Diseases: Drug Discovery and Informatics Resource.Improving the efficacy-safety balance of polypharmacology in multi-target drug discovery.Ligand selectivity and competition between enzymes in silico.What is the potential of structure-based target prediction methods?A computational study on role of 6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyoxane-2,4,5-triol in the regulation of blood glucose level.Reverse Screening Methods to Search for the Protein Targets of Chemopreventive Compounds.Docking-based inverse virtual screening: methods, applications, and challenges.
P2860
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P2860
Prediction of potential toxicity and side effect protein targets of a small molecule by a ligand-protein inverse docking approach
description
2001 nî lūn-bûn
@nan
2001 թուականին հրատարակուած գիտական յօդուած
@hyw
2001 թվականին հրատարակված գիտական հոդված
@hy
2001年の論文
@ja
2001年論文
@yue
2001年論文
@zh-hant
2001年論文
@zh-hk
2001年論文
@zh-mo
2001年論文
@zh-tw
2001年论文
@wuu
name
Prediction of potential toxici ...... otein inverse docking approach
@ast
Prediction of potential toxici ...... otein inverse docking approach
@en
Prediction of potential toxici ...... otein inverse docking approach
@nl
type
label
Prediction of potential toxici ...... otein inverse docking approach
@ast
Prediction of potential toxici ...... otein inverse docking approach
@en
Prediction of potential toxici ...... otein inverse docking approach
@nl
prefLabel
Prediction of potential toxici ...... otein inverse docking approach
@ast
Prediction of potential toxici ...... otein inverse docking approach
@en
Prediction of potential toxici ...... otein inverse docking approach
@nl
P1476
Prediction of potential toxici ...... otein inverse docking approach
@en
P2093
P304
P356
10.1016/S1093-3263(01)00109-7
P407
P577
2001-01-01T00:00:00Z