Keywords: ضبط گروه; Polychlorinated biphenyls; QSAR modeling; Self-Organizing map; Clustering and classification schemes; Steroidogenesis pathway genes; Ensemble docking;
مقالات ISI ضبط گروه (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: ضبط گروه; Organophosphate; Mutation; Protein design; Molecular docking; Protein-ligand interaction; Library design; Ensemble docking;
Keywords: ضبط گروه; Perfluorinated compounds; Toxicity; Nuclear hormone receptors; StAR protein; QSAR; Ensemble docking;
Keywords: ضبط گروه; Multi-target screening; BACE1; Ensemble docking; Phytochemicals; Anti-amyloidogenic; Antioxidant;
Regular ArticlePrecise prediction of activators for the human constitutive androstane receptor using structure-based three-dimensional quantitative structure-activity relationship methods
Keywords: ضبط گروه; Constitutive androstane receptor (CAR); 3D-QSAR; Drug-drug interactions (DDIs); In silico ADME; Ensemble docking; CYP2B6;
Identification of potent inhibitors of DNA methyltransferase 1 (DNMT1) through a pharmacophore-based virtual screening approach
Keywords: ضبط گروه; DNMT1 inhibitors; Pharmacophore based virtual screening; Naïve Bayesian classification model; Ensemble docking; Molecular dynamics simulation;
Ensemble docking-based virtual screening yields novel spirocyclic JAK1 inhibitors
Keywords: ضبط گروه; AUC; area under the (ROC) curve; EF; enrichment factor; FDA; Food and Drug Administration; FPR; false positive rate; HTVS; high throughput virtual screening; JAK; Janus kinase; LLE; lipophilic ligand efficiency; LELP; lipophilicity-corrected ligand effici
Discovery of LRRK2 inhibitors using sequential in silico joint pharmacophore space (JPS) and ensemble docking
Keywords: ضبط گروه; In silico; Joint pharmacophore space; Ensemble docking; LRRK2; Inhibitor;
Protein flexibility oriented virtual screening strategy for JAK2 inhibitors
Keywords: ضبط گروه; JAK2; Binding site flexibility; Ensemble docking; Virtual screening; Bayesian categorization;
Virtual fragment screening on GPCRs: A case study on dopamine D3 and histamine H4 receptors
Keywords: ضبط گروه; Fragment screening; Fragment docking; Virtual screening; Ensemble docking; G protein-coupled receptors; Dopamine D3 receptor; Histamine H4 receptorGPCR, G protein-coupled receptor; FBLD, fragment-based lead discovery; LE, ligand efficiency; LELP, ligand-e
Ensemble docking and molecular dynamics identify knoevenagel curcumin derivatives with potent anti-EGFR activity
Keywords: ضبط گروه; EGFR; epidermal growth factor receptor; TK; tyrosine kinases; NSCLC; non-small-cell lung carcinoma; NCEs; new chemical entities; MD; molecular dynamics; RMSD; root mean square deviation; EGFR; Tyrosine kinase; Curcumin; Ensemble docking; Molecular dynamic
A scalable and accurate method for classifying protein–ligand binding geometries using a MapReduce approach
Keywords: ضبط گروه; High-throughput docking; Cross docking; Ensemble docking; Octree-based clustering; Volunteer computing
Exploring the PDE5 H-pocket by ensemble docking and structure-based design and synthesis of novel β-carboline derivatives
Keywords: ضبط گروه; PDE5 inhibitors; Tadalafil; Carbolines; Ensemble docking;
The utility of geometrical and chemical restraint information extracted from predicted ligand-binding sites in protein structure refinement
Keywords: ضبط گروه; Ligand-binding site refinement; Protein threading; Protein structure prediction; Ligand-binding site prediction; Ensemble docking; Molecular function;