Ligand-protein inverse docking and its potential use in the computer search of protein targets of a small molecule.
about
TTD: Therapeutic Target DatabaseCalculating an optimal box size for ligand docking and virtual screening against experimental and predicted binding pocketsIdentifying unexpected therapeutic targets via chemical-protein interactomeBinding of protein kinase inhibitors to synapsin I inferred from pair-wise binding site similarity measurementsLarge-scale reverse docking profiles and their applications.SePreSA: a server for the prediction of populations susceptible to serious adverse drug reactions implementing the methodology of a chemical-protein interactomeFinding the targets of a drug by integration of gene expression data with a protein interaction network.Nimbolide targets BCL2 and induces apoptosis in preclinical models of Waldenströms macroglobulinemia.Integrative methods for analyzing big data in precision medicine.A new method to estimate ligand-receptor energetics.Domain-based small molecule binding site annotationSetting up a large set of protein-ligand PDB complexes for the development and validation of knowledge-based docking algorithms.Proteomics characterization of the cytotoxicity mechanism of ganoderic acid D and computer-automated estimation of the possible drug target network.PDTD: a web-accessible protein database for drug target identification.Target fishing for chemical compounds using target-ligand activity data and ranking based methods.DDI-CPI, a server that predicts drug-drug interactions through implementing the chemical-protein interactome.Identifying compound-target associations by combining bioactivity profile similarity search and public databases mining.Curation and analysis of multitargeting agents for polypharmacological modeling.Polypharmacology: drug discovery for the future.Virtual target screening: validation using kinase inhibitors.Therapeutic effects of astragaloside IV on myocardial injuries: multi-target identification and network analysis.Clarifying off-target effects for torcetrapib using network pharmacology and reverse docking approach.An inverse docking approach for identifying new potential anti-cancer targets.Structure-based systems biology for analyzing off-target bindingTarFisDock: a web server for identifying drug targets with docking approach.Ophiobolin O isolated from Aspergillus ustus induces G1 arrest of MCF-7 cells through interaction with AKT/GSK3β/cyclin D1 signalingPredictive in silico off-target profiling in drug discovery.Efficient discovery of responses of proteins to compounds using active learningChallenges, applications, and recent advances of protein-ligand docking in structure-based drug design.Integrating sampling techniques and inverse virtual screening: toward the discovery of artificial peptide-based receptors for ligands.Database of traditional Chinese medicine and its application to studies of mechanism and to prescription validationidTarget: a web server for identifying protein targets of small chemical molecules with robust scoring functions and a divide-and-conquer docking approachComprehensive prediction of drug-protein interactions and side effects for the human proteome.Drug repositioning for personalized medicine.The scoring bias in reverse docking and the score normalization strategy to improve success rate of target fishing.Novel method for probing the specificity binding profile of ligands: applications to HIV protease.Historeceptomic Fingerprints for Drug-Like Compounds.In Silico Insight into Potential Anti-Alzheimer's Disease Mechanisms of Icariin.Traditional chinese medicine-based network pharmacology could lead to new multicompound drug discoveryIdentification of Toxic Pyrrolizidine Alkaloids and Their Common Hepatotoxicity Mechanism.
P2860
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P2860
Ligand-protein inverse docking and its potential use in the computer search of protein targets of a small molecule.
description
2001 nî lūn-bûn
@nan
2001年の論文
@ja
2001年学术文章
@wuu
2001年学术文章
@zh-cn
2001年学术文章
@zh-hans
2001年学术文章
@zh-my
2001年学术文章
@zh-sg
2001年學術文章
@yue
2001年學術文章
@zh
2001年學術文章
@zh-hant
name
Ligand-protein inverse docking ...... n targets of a small molecule.
@en
Ligand-protein inverse docking ...... n targets of a small molecule.
@nl
type
label
Ligand-protein inverse docking ...... n targets of a small molecule.
@en
Ligand-protein inverse docking ...... n targets of a small molecule.
@nl
prefLabel
Ligand-protein inverse docking ...... n targets of a small molecule.
@en
Ligand-protein inverse docking ...... n targets of a small molecule.
@nl
P2860
P1433
P1476
Ligand-protein inverse docking ...... n targets of a small molecule.
@en
P2860
P304
P356
10.1002/1097-0134(20010501)43:2<217::AID-PROT1032>3.0.CO;2-G
P407
P577
2001-05-01T00:00:00Z