Keywords: مدل سازی همگرا; Neonicotinoid insecticides; Molecule modification; Three-dimensional quantitative structure-activity relationship; Gene recombination; Homology modeling; Molecular docking;
مقالات ISI مدل سازی همگرا (ترجمه نشده)
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Keywords: مدل سازی همگرا; Multicopper oxidase; Laccases; White rot; Brown rot; Soft rot fungi; Homology modeling; Molecular docking;
Keywords: مدل سازی همگرا; Malaria; Glucose-6-phosphate dehydrogenase; Plasmodium falciparum; Homology modeling; Selective inhibitors; Drug design;
Keywords: مدل سازی همگرا; G-protein coupled receptor; Chemosensory receptor; Bitter taste receptor; Homology modeling; Molecular docking; Molecular mechanics/coarse-grained simulations; MD; Molecular dynamics; MM/CG; molecular mechanics/coarse-grained; GPCR; G-protein coupled rece
Keywords: مدل سازی همگرا; Nitrilase; Homology modeling; Gene site saturation mutagenesis; Iminodiacetonitrile; Iminodiacetic acid;
Keywords: مدل سازی همگرا; Salicylic acid decarboxylase; Bioactivity; Homology modeling; Dynamic simulation;
Keywords: مدل سازی همگرا; Acidic cellulase; Glycosidic hydrolase; Homology modeling;
Keywords: مدل سازی همگرا; Spidroin; Target capture; Homology modeling; Spider silk;
Keywords: مدل سازی همگرا; P450 enzyme; Erebusinone; Xanthurenic acid; Homology modeling; Molecular dynamics simulations; Aromatic interactions;
Keywords: مدل سازی همگرا; Cellulase; Homology modeling; Docking; Cellobiose; Cellotetraose; Cellotetriose; Laminaribiose;
Keywords: مدل سازی همگرا; SDF; Structure data file; PDB; Protein data bank; Cellulase; Aspergillus; Trichoderma; Homology modeling; Molecular docking;
Keywords: مدل سازی همگرا; Site-directed mutagenesis; Lactate dehydrogenase; Homology modeling; Molecular dynamics simulation; Theileria annulata;
Keywords: مدل سازی همگرا; Plasmodium falciparum; Thiolactone; Homology modeling; Molecular docking; β- keto acyl -ACP synthase I/II;
Keywords: مدل سازی همگرا; BCAA; branched-chain amino acids; EAA; essential amino acids; BCAT; branched-chain aminotransferase; BCKDH; branched-chain α-keto acid dehydrogenase; PDB; protein data bank; RMSD; root mean square deviation; Branched-chain amino acids (BCAA); Homology mo
Keywords: مدل سازی همگرا; Histone modifying enzymes; Epigenetics; Phylogenomics; Functional annotation; Paralogous families; Homology modeling;
Keywords: مدل سازی همگرا; ATR-FTIR; attenuated-total-reflectance Fourier-transform infrared; CBS; captive bubble surfactometer; DPPC; dipalmitoyl-phosphatidylcholine; DTGS; deuterium triglyceride sulfate; MD; molecular dynamics; MLVs; multi-lamellar vesicles; PBS; phosphate buffer
Keywords: مدل سازی همگرا; Filarial parasite; Macrophage Migration Inhibitory Factor; CXXC motif; Oxidoreductase activity; Homology modeling; Site directed mutagenesis
Keywords: مدل سازی همگرا; Homology modeling; Xylose dehydrogenase mutants; Thermostability; Microbial surface display; Xylose/O2 based biofuel cell
Keywords: مدل سازی همگرا; GDP-MP; Multiple alignment; Homology modeling; Molecular dynamics simulation; Quality assessment; Interaction enzyme-ligand
Keywords: مدل سازی همگرا; Enolase; Homology modeling; Molecular docking
Keywords: مدل سازی همگرا; Adenosine receptor; Docking; Homology modeling; Purine-2,6-dione; Species differences; Subtype selectivity; Xanthines
Keywords: مدل سازی همگرا; Molecular modeling; PTM prediction; Homology modeling; Molecular dynamics; Molecular docking; Supramolecular assembly;
Keywords: مدل سازی همگرا; Farnesyl diphosphate synthase; Inhibitor; Bisphosphonate; Homology modeling; Topical studies;
Keywords: مدل سازی همگرا; MRSA; Methicillin Resistant S. aureus; KEGG; Kyoto Encyclopedia of Genes and Genomes; PDB; Protein Databank; BLAST; Basic Local Alignment Search Tool; NCBI-GI; NCBI Gene Identification Number; MDR; Multiple Drug Resistant; TB; Tuberculosis; MTB; Mycobacte
Keywords: مدل سازی همگرا; 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: مدل سازی همگرا; DMAC; N,N-dimethylacetamide; DMF; N,N-dimethylformamide; LiHMDS; lithium bis(trimethylsilyl)amide; mGlu5; metabotropic glutamate receptor subtype 5; NAM; negative allosteric modulator; GPCR; G-protein coupled receptor; TFA; trifluoroacetic acid; TLC; thin
Keywords: مدل سازی همگرا; Histone deacetylases; Molecular modeling; Homology modeling; Molecular docking; Parasitic diseases; Epigenetics;
Keywords: مدل سازی همگرا; enzyme function prediction; protein structures; homology modeling; docking; metabolic pathways
Keywords: مدل سازی همگرا; AZ; antizyme; AZBE; antizyme-binding element; AZIN; antizyme inhibitor; ERGIC; endoplasmic reticulum-Golgi intermediate compartment; ODC; ornithine decarboxylase; GDT_TS; global distance test total score; HA; hemagglutinin; HEK; human embryonic kidney; PA
Keywords: مدل سازی همگرا; Alpha adrenergic receptor antagonist; Pharmacophores; Homology modeling; Flexible molecular docking;
Keywords: مدل سازی همگرا; AhR; TCDD; Homology modeling; Docking study; Pig
Keywords: مدل سازی همگرا; Asu-ACR-16; Structure-based drug discovery; Homology modeling; Orthosteric site; Allosteric modulator; Xenopus expressionECD, extracellular domain; TID, transmembrane and intracellular domain; (+), principal subunit; (−), complementary subunit; NAM, negat
Keywords: مدل سازی همگرا; Camel lactoperoxidase; Three dimensional structure; Homology modeling; Molecular dynamics; Substrate binding site;
Effect of amino acid substitution on biological activity of cyanophlyctin-β and brevinin-2R
Keywords: مدل سازی همگرا; Antimicrobial peptides; Cyanophlyctin; Structural prediction; HPLC; Homology modeling;
Design, synthesis, biological evaluation, homology modeling and docking studies of (E)-3-(benzo[d][1,3]dioxol-5-ylmethylene) pyrrolidin-2-one derivatives as potent anticonvulsant agents
Keywords: مدل سازی همگرا; (E)-3-(Benzo[d][1,3]dioxol-5-ylmethylene)pyrrolidin-2-one; Design; Synthesis; Anticonvulsant; Homology modeling; Docking study;
Structural comparison among the 2013-2017 avian influenza A H5N6 hemagglutinin proteins: A computational study with epidemiological implications
Keywords: مدل سازی همگرا; Avian influenza; Hemagglutinin; Homology modeling; Influenza a H5N6 subtype; Structural evolution;
In vitro screening, homology modeling and molecular docking studies of some pyrazole and imidazole derivatives
Keywords: مدل سازی همگرا; Pyrazole; Imidazole; Palladium catalysts; Antifungal; Homology modeling; Molecular docking;
Plasticity of the ligand binding pocket in the bitter taste receptor T2R7
Keywords: مدل سازی همگرا; Bitter taste receptor (T2R); Extracellular loop; Bitter agonists; Homology modeling; Mutagenesis;
In silico modelling and molecular dynamics simulation studies on L-Asparaginase isolated from bacterial endophyte of Ocimum tenuiflorum
Keywords: مدل سازی همگرا; L-Asparaginase; ALL; Sequencing; Homology modeling; Docking; MD simulations;
Isolation and characterization of a novel serine protease inhibitor, SjSPI, from Schistosoma japonicum
Keywords: مدل سازی همگرا; Schistosoma japonicum; Serine proteinase inhibitor; Exon-intron structure; Homology modeling; Chymotrypsin;
Structural and functional insights into RHA-P, a bacterial GH106 α-L-rhamnosidase from Novosphingobium sp. PP1Y
Keywords: مدل سازی همگرا; Rhamnosidase; Flavonoid; Homology modeling; Site-directed mutagenesis; Novosphingobium sp. PP1Y; α-RHA; α-l-rhamnosidase; ABS; absorbance; BSA; bovin serum albumin; E. coli; Escherichia coli; GHs; glycosyl hydrolases; GTs; glycosyl transferases; IPTG; i
Comparative homology model building and docking evaluation for RNA III inhibiting peptide of Multi drug resistant Staphylococcus aureus strain MRSA252
Keywords: مدل سازی همگرا; RNA III inhibiting peptide; Homology modeling; Methiciline resistant Staphylococcus aureus;
Phylogenetic analysis, structure modeling and docking study of HCV NS3 protease for the identification of potent inhibitors
Keywords: مدل سازی همگرا; NS3 helicase; Sequencing; NS5B polymerase inhibitors; Homology modeling; Molecular docking;
Structural model, functional modulation by ivermectin and tissue localization of Haemonchus contortus P-glycoprotein-13
Keywords: مدل سازی همگرا; Nematode; Haemonchus contortus; ABC transporters; P-glycoprotein; Ivermectin; Homology modeling; ABC; ATP-binding cassette; ACD; actinomycin D; AH; anthelmintic; BlastP; protein Basic Local Alignment Search Tool; bp; base pairs; Cel; Caenorhabditis elegan
Homology threading to generate RNA polymerase structures
Keywords: مدل سازی همگرا; Homology modeling; Homo sapiens RNA polymerase I and III; Drosophila melanogaster RNA polymerase II preinitiation complex;
Conserved structure and function of chemokine CXCL8 between Chinese tree shrews and humans
Keywords: مدل سازی همگرا; CXCL8; chemokine (C-X-C) ligand 8; CXCR1; C-X-C motif chemokine receptor 1; CXCR2; C-X-C motif chemokine receptor 2; Ts; tree shrew; 3D; three-dimensional; PBMCs; peripheral blood mononuclear cells; MHC; major histocompatibility complex; IL-2; interleukin
Insights into the aquaporin 4 of zebrafish (Danio rerio) through evolutionary analysis, molecular modeling and structural dynamics
Keywords: مدل سازی همگرا; AQPs; Aquaporins; zAQP4; Zebrafish Aquaporin4; NMO; Neuromyelitis optica; PDB; Protein Data Bank; BLAST; Basic Local Alignment Search Tool; RMSD; Root-Mean-Square Deviation; TM score; Template Modeling score; MD; Molecular Dynamics; VMD; Visual Molecular
Alkaline active cyanide dihydratase of Flavobacterium indicum MTCC 6936: Growth optimization, purification, characterization and in silico analysis
Keywords: مدل سازی همگرا; Cyanide dihydratase; F. indicum; MALDI-TOF; Homology modeling;
Active-site mutations improved the transglycosylation activity of Stenotrophomonas maltophilia chitinase A
Keywords: مدل سازی همگرا; Chitinases; Chitooligosaccharides; Homology modeling; StmChiA; Site-directed mutagenesis;
The mpn668 gene of Mycoplasma pneumoniae encodes a novel organic hydroperoxide resistance protein
Keywords: مدل سازی همگرا; Organic hydroperoxide reductase; mpn668; Active site; qRT-PCR; Homology modeling;