Keywords: غربالگری مجازی; Chemoinformatics; Bioinformatics; Focused library; Protein-protein interaction inhibitors; Compound collection; Virtual screening;
مقالات ISI غربالگری مجازی (ترجمه نشده)
مقالات زیر هنوز به فارسی ترجمه نشده اند.
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در صورتی که به ترجمه آماده هر یک از مقالات زیر نیاز داشته باشید، می توانید سفارش دهید تا مترجمان با تجربه این مجموعه در اسرع وقت آن را برای شما ترجمه نمایند.
Keywords: غربالگری مجازی; Androgen receptor; Proliferation assay; Virtual screening; Steroid receptor ligand displacement assay; LNCaP cells; PC-3 cellsAdG, affinity ΔG; AP, alpha principle moments of inertia; AR, androgen receptor; AT, Alpha Triangle; CDFBS, charcoal-dextran trea
Keywords: غربالگری مجازی; Drug design; 3D-QSAR; Histamine H3 receptor; Histamine N-methyltransferase; Pharmacophore; Virtual screening;
Keywords: غربالگری مجازی; Structure-based drug discovery; Homology modeling; Ligand docking; Virtual screening; Protein flexibility; Active site water molecules; GPCR; G Protein-coupled receptor; HM; homology modeling; HTD; high-throughput docking; LSHM; Ligand-steered homology mo
Keywords: غربالگری مجازی; Drug-likeness; ADMET; Traditional Chinese medicines; Machine learning; Computer-aided drug design; Virtual screening;
Keywords: غربالگری مجازی; Diabetes; Glucokinase; Glucokinase activator; Molecular dynamics simulation; Virtual screening; Molecular docking;
Keywords: غربالگری مجازی; Bond-based bilinear indices; LDA-assisted QSAR model; Virtual screening; Trypanosomicidal; In vitro cytotoxicity;
Keywords: غربالگری مجازی; Virtual screening; Thymidylate synthase; Dihydrofolate reductase; Toxoplasma gondii;
Keywords: غربالگری مجازی; Virtual screening; Fatty acid synthesis; Condensing enzymes; Antibiotics;
Keywords: غربالگری مجازی; Falcipain-2 inhibitors; Natural products; Virtual screening; Antimalarial drug
Keywords: غربالگری مجازی; Drug design; Enzyme inhibitors; Proteases; Reversible covalent inhibitors; Virtual screening
Keywords: غربالگری مجازی; In vitro; In vivo; QSAR; Trichomonas vaginalis; TOMOCOMD-CARDD; Virtual screening;
Keywords: غربالگری مجازی; Structural interaction fingerprint; Machine learning; Virtual screening; Docking results analysis;
Keywords: غربالگری مجازی; Virtual screening; Mandelate racemase; Binding energy; Transition state; Molecular dynamics simulation
Keywords: غربالگری مجازی; Liposomes; Remote loading; QSPR; Virtual screening; Iterative Stochastic Elimination; k-Nearest Neighbors;
Keywords: غربالگری مجازی; Neural networks; Support vector machines; Clinical research; Drug discovery; Virtual screening; Parallel computing
Keywords: غربالگری مجازی; Goat lens aldose reductase; Pyrazolone derivatives; Carbothioamide derivatives; Polyethylene glycol (PEG-400); Paired potential analysis; Virtual screening
Keywords: غربالگری مجازی; Ligand efficiency; Fit quality; Virtual screening; Pharmacophore model; Aurora kinase inhibitor3D-QSAR, three dimensional quantitative structure–activity relationship; EF, enrichment factor; FBDD, fragment-based drug discovery; FQ, fit quality; HA, number
Keywords: غربالگری مجازی; PTP; protein tyrosine phosphatase; RCC; redox cycling compounds; ROS; reactive oxygen species; HTS; high-throughput screen; PDB; protein data bank; pNPP; para-nitrophenyl phosphate; VS; virtual screening; DTT; dithiothreitol; pTyr; phosphotyrosine; Protei
Keywords: غربالگری مجازی; Acetylcholinesterase inhibitor; Alzheimer's disease; Molecular docking; Pharmacophore mapping; Virtual screening; QSAR;
Keywords: غربالگری مجازی; Tubulin; Pharmacophore modeling; Virtual screening; Molecular docking;
Keywords: غربالگری مجازی; MD; molecular dynamics; Sc; Saccharomyces cerevisiae; Ub; ubiquitin; UBC; ubiquitin-binding domain; Cdc34; Docking; E2 conjugating enzyme; Ubiquitin; Virtual screening; Ubiquitination;
Keywords: غربالگری مجازی; Dual specificity phosphatases; Virtual screening methods; Phosphatases of regenerating liver; Enzyme inhibitors; Thienopyridone; 2-Cyano-2-ene-esters; DIFMUP; 6,8-difluoro-4-methylumbelliferyl phosphate; DSP; dual specificity phosphatase; MTT; 3-(4,5-dime
Keywords: غربالگری مجازی; Isoxazoles; Chemical synthesis; Classification model; Virtual screening; Antiproliferative activity; In silico;
Keywords: غربالگری مجازی; Chk2; Drug design; Pharmacophore; Virtual screening;
Keywords: غربالگری مجازی; Endocrine disruptors; Virtual screening; Case studies;
Keywords: غربالگری مجازی; Cloud computing; Molecular modelling; Cheminformatics; Computer aided-drug design; Virtual screening; Docking;
Keywords: غربالگری مجازی; Anabolic steroids; Virtual screening; Quantum and physicochemical molecular descriptor; Cluster analysis; QSAR and docking studies;
Keywords: غربالگری مجازی; Alphaviruses; Chikungunya virus; Envelope proteins; Virtual screening;
Keywords: غربالگری مجازی; In silico pharmacophore modeling; Virtual screening; Subtype selective; Antimuscarinic agents; Atropine;
Keywords: غربالگری مجازی; Cancer; Proteasome; Cupriphilic compounds; Virtual screening
Keywords: غربالگری مجازی; Lactate dehydrogenase A; Virtual screening; Enzymatic assay; Cytotoxic assay
Keywords: غربالگری مجازی; Lactate dehydrogenase A; Virtual screening; Apoptosis; Cytotoxic assay
Keywords: غربالگری مجازی; Non-azoles; Ligand based pharmacophore modeling; Virtual screening; Molecular docking
Keywords: غربالگری مجازی; Dengue virus; Virtual screening; Molecular docking; ZINC ligand database; Molecular dynamics (MD) simulations
Keywords: غربالگری مجازی; Sirtuin; MM-GBSA; MM-PBSA; Virtual screening
Lead compounds and key residues of ribosomal protein S1 in drug-resistant Mycobacterium tuberculosis
Keywords: غربالگری مجازی; RPS1; Virtual screening; Trans-translation; Drug-resistant;
Pharmacoinformatics analysis of merbarone binding site in human topoisomerase IIα
Keywords: غربالگری مجازی; Human topoisomerase IIα; Merbarone; Molecular dynamics; Virtual screening; DNA-Cleavage inhibitors; Binding energy;
Discovery of small molecule inhibitors of adenovirus by disrupting E3-19K/HLA-A2 interactions
Keywords: غربالگری مجازی; Adenovirus; E3-19K; HLA-A2; Protein-protein interactions; Small molecule inhibitors; Molecular dynamic simulations; Molecular mechanics/generalized-born surface area (MM/GBSA); Computational solvent mapping; Virtual screening; Surface plasmon resonance;
In silico discovery of quinoxaline derivatives as novel LRP5/6-sclerostin interaction inhibitors
Keywords: غربالگری مجازی; Wnt/β-catenin signalling pathway; LRP5/6-sclerostin interaction; Structure-activity relationships; Virtual screening; Osteoporosis;
Identification of influenza PA-Nter endonuclease inhibitors using pharmacophore- and docking-based virtual screening
Keywords: غربالگری مجازی; Influenza virus; Endonuclease; Pharmacophore modeling; Virtual screening; Molecular docking;
Discovery of new GSK-3β inhibitors through structure-based virtual screening
Keywords: غربالگری مجازی; GSK-3β; Virtual screening; Radiometric assay; Molecular dynamics; 2D similarity search;
Hypouricemic effect of Grifola frondosa on hyperuricemic mice and virtual screening of bioactives by 3D QSAR pharmacophore modeling
Keywords: غربالگری مجازی; Grifola frondosa; Hyperuricemia; Urate transporter 1; 3D QSAR pharmacophore; Virtual screening;
MM-PBSA and per-residue decomposition energy studies on 7-Phenyl-imidazoquinolin-4(5H)-one derivatives: Identification of crucial site points at microsomal prostaglandin E synthase-1 (mPGES-1) active site
Keywords: غربالگری مجازی; mPGES-1; Molecular dynamics simulations; MM-PBSA; Per-residue decomposition energy; Virtual screening;
Identification of a novel selective small-molecule inhibitor of protein arginine methyltransferase 5 (PRMT5) by virtual screening, resynthesis and biological evaluations
Keywords: غربالگری مجازی; PRMT5 inhibitor; Resynthesis; Virtual screening; Molecular docking; Molecular dynamics simulation;
Novel inhibitors of As(III) S-adenosylmethionine methyltransferase (AS3MT) identified by virtual screening
Keywords: غربالگری مجازی; As(III) S-adenosylmethionine methyltransferase; Arsenic methyltransferase; Virtual screening; Methyltransferase; Schizophrenia;
A 3D-QSAR assisted activity prediction strategy for expanding substrate spectra of an aldehyde ketone reductase
Keywords: غربالگری مجازی; Biocatalysis; Chiral alcohols; Aldehyde ketone reductases; Quantitative structure-activity relationship (QSAR); Molecular modeling; Virtual screening; Substrate spectrum prediction;
A novel small molecule inhibitor of CD151 inhibits proliferation of metastatic triple negative breast cancer cell lines
Keywords: غربالگری مجازی; CD151; Virtual screening; 2-thio-6-azauridine; TNBC and apoptosis;
Identification by virtual screening and functional characterisation of novel positive and negative allosteric modulators of the α7 nicotinic acetylcholine receptor
Keywords: غربالگری مجازی; Nicotinic acetylcholine receptor; Ion channel; Allosteric modulation; Virtual screening; 5-HT; 5-hydroxytryptamine; DB04763; 1-N-(4-sulfamoylphenethyl)-2,4,6-trimethylpyridinium tetrafluoroborate; AUC; area under the curve; CAII; carbonic anhydrase II; CD
Hit optimization studies of 3-hydroxy-indolin-2-one analogs as potential anti-HIV-1 agents
Keywords: غربالگری مجازی; AIDS; Reverse transcriptase; Toxicity; Virtual screening; SAR; Docking;