Keywords: سطح قابل دسترس حلال; CVDs; cardiovascular diseases; sEH; soluble epoxide hydrolase; MD; molecular dynamics; EETs; epoxyeicosatrienoic acids; DHETs; dihydroxy-eicosatrienoic acids; MM/PBSA; molecular mechanics poisson-boltzmann surface area; ROF; rule of five; NVT; number of p
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Keywords: سطح قابل دسترس حلال; AFM; atomic force microscopy; ATR; Attenuated total reflectance (IR system); CCC; covalently closed circular DNA; CD; circular dichroism; CT DNA; calf thymus DNA; DEPT; distortionless enhancement by polarization transfer; DMF; Dimethylformamide; DMSO; Dim
Keywords: سطح قابل دسترس حلال; Naphthalene diimides; Drug design; DNA; G-quadruplex; Telomeric DNA; Topoisomerase; Antiproliferative; BASASA; Boltzmann Accessible Solvent Accessible Surface Area; BCL-2; B-cell lymphoma 2; dsDNA; double-stranded DNA; hTel; human telomeric; HSP90; heat s
Keywords: سطح قابل دسترس حلال; Macromolecular crowding; Solvent accessible surface area; Hydration; Diffusion coefficient; Protein crowders;
Keywords: سطح قابل دسترس حلال; Surface active imidazolium based ionic liquids; Micellization; Isothermal titration calorimetry; Thermodynamic study; Solvent accessible surface area;
Keywords: سطح قابل دسترس حلال; ADA; Adenosine Deaminase; MD; molecular dynamics; DEG; Database of Essential Genes; ROF; Lipinski's rule of five; MW; molecular weight; clogP; Octanol-water partition co-efficient; HBD; hydrogen bond donor; HBA; hydrogen bond acceptor; NVT; Number of part
Keywords: سطح قابل دسترس حلال; CCM; Cell culture media; CDM; Chemically defined media; CHO; Chinese hamster ovary; DPM; Dry Powder Media; FBRM; Focused Beam Reflectance Measurement; FTIR; Fourier transformed Infrared spectroscopy; mAb; Monoclonal Antibody; ppm; parts per million; UPLC;
Keywords: سطح قابل دسترس حلال; CaV; Voltage-gated calcium channel; GMs; Gating modifier, gating-modifying peptide; Hd1a; μ-TRTX-Hd1a; KV; Voltage-gated potassium channel; LUV; Large unilamellar vesicle; NaV; Voltage-gated sodium channel; PBs; Pore blocker, pore blocking peptide; POPC;
Keywords: سطح قابل دسترس حلال; PPL-Cl; procine pancreatic lipase in closed conformation; PPL-O; lipase in closed conformation; PPL+Â colip; lipase-colipase complex; PPL-colip; only lipase chain of lipase-colipase complex; RMSD; root mean square deviation; RMSF; root mean square flu
Keywords: سطح قابل دسترس حلال; PPL-Cl; procine pancreatic lipase in closed conformation; PPL-O; lipase in closed conformation; PPL+Â colip; lipase-colipase complex; PPL-colip; only lipase chain of lipase-colipase complex; PPLmut-Cl; lipase with point mutations D250V and E254 in closed
Keywords: سطح قابل دسترس حلال; FF; diphenylalanine; MD; molecular dynamics; RMSD; root mean square deviation; dEE; end-to-end distance; SASA; solvent accessible surface area; Diphenylalanine peptide; Piezoelectric peptide; Atomistic molecular dynamics; External electric field; Peptideâ
Keywords: سطح قابل دسترس حلال; Dp; Dystrophin; DMD; Duchenne Muscular Dystrophy; DAPC; Dystrophin Associated Protein Complex; DG; Dystroglycan; MDDGC9; Muscular Dystrophy, Dystroglycanopathy, Type C9; OMIM; Online Mendelian Inheritance in Man; ABD; Actin Binding Domain; SpR; Spectrin R
Keywords: سطح قابل دسترس حلال; ANOVA; analysis of variance; BCA; bicinchoninic acid; DA; dopamine; DAT; dopamine transporter; FEP; free energy perturbation; GABA; gamma-amino butyric acid; GAT; GABA transporter; HRP; horseradish peroxidase; IL3; intracellular loop 3; MD; molecular dyna
Keywords: سطح قابل دسترس حلال; Singlet oxygen quenching; Tripeptides; Model proteins; Solvent accessible surface area
In silico analysis of Pax6 protein glycosylation in vertebrates
Keywords: سطح قابل دسترس حلال; PD; paired domain; HD; homeodomain; PST; Proline/Serine/Threonine; Pro; proline; Ser; serine; Thr; threonine; Asn; asparagine; GlcNAc; N-acetylglucosamine; GalNAc; N-acetylgalactosamine; 3D; three dimensional; 2D; secondary structure; EVP; enhancement val
Molecular genetics âcharacterization and homology modeling of the CHM gene mutation: A study on its association with choroideremia
Keywords: سطح قابل دسترس حلال; CHM; choroideremia; RPE; retinal pigment epithelium; REP-1; Rab escort protein-1; VA; visual acuity; OCT; optical coherence tomography; GGTase; geranylgeranyltransferase; ONL; outer nuclear layer; INL; inner nuclear layer; LCHADD; long-chain 3-hydroxyacyl
Modeling, dynamics and phosphoinositide binding of the pleckstrin homology domain of two novel PLCs: η1 and η2
Keywords: سطح قابل دسترس حلال; Pleckstrin homology domain; Phosphoinositide binding; Molecular modeling; Docking; MD simulation; PLC; Phospholipase C; PHη1; PH domain of PLCη1; PHη2; PH domain of PHη2; IP3; inositol-(1,4,5)-triphosphate; IP4; Inositol-(1,3,4,5)-tetrakisphosphate; u
Why human anti-Galα1-4Galβ1-4Glc natural antibodies do not recognize the trisaccharide on erythrocyte membrane? Molecular dynamics and immunochemical investigation
Keywords: سطح قابل دسترس حلال; GSL; glycosphingolipid; Gb3Cer; natural glycosphingolipid globotriaosylceramide; MD; molecular dynamics; Pk; Galα1-4Galβ1-4Glc; P; GalNAcβ1-3Galα1-4Galβ1-4Glc; P1; Galα1-4Galβ1-4GlcNAc; DOPE-Pk; synthetic analogue of Gb3Cer; DOPE; dioleylphosph
Inhibition of TRAF6-Ubc13 interaction in NFkB inflammatory pathway by analyzing the hotspot amino acid residues and protein-protein interactions using molecular docking simulations
Keywords: سطح قابل دسترس حلال; PPI; protein-protein interaction; PDTC; Pyrrolidine dithiocarbamate; NFkB; Nuclear Factor kappa B; IkB; Inhibitor of kappa; RING; Really Interesting New Gene; TRAF6; TNF receptor associated factor 6; IL1; Interleukin 1; Ubc13; Ubiquitin conjugating prot
Exploring putative inhibitors of Death Associated Protein Kinase 1 (DAPK1) via targeting Gly-Glu-Leu (GEL) and Pro-Glu-Asn (PEN) substrate recognition motifs
Keywords: سطح قابل دسترس حلال; DAPK1; Death Associated Protein Kinase 1; NMDARs; N-methyl-D-aspartate receptors; NMDAR2A or NR2A; N-methyl-D-aspartate receptor subtype 2A; NMDAR2B or NR2B; N-methyl-D-aspartate receptor subtype 2B; NSC; neuronal survival-signaling complex; NDC; neuronal
Classification and structural analyses of mutational landscapes in hemochromatosis factor E protein: A protein defective in the hereditary hemochromatosis
Keywords: سطح قابل دسترس حلال; HH; hereditary hemochromatosis; HFE; Hereditary Hemochromatosis Factor E; MHC; major histocompatibility complex; RMSD; Root Mean Square Deviations; Rg; Radius of Gyration; RMSF; Root Mean Square Fluctuations; SASA; Solvent Accessible Surface Area; SVM; Su
Molecular dynamics simulation and free energy landscape methods in probing L215H, L217R and L225M βI-tubulin mutations causing paclitaxel resistance in cancer cells
Keywords: سطح قابل دسترس حلال; Microtubule; βI-tubulin; Paclitaxel; Drug resistance; Molecular dynamics simulation; Free energy landscape; WT; wild type; MT; mutant type; Ptxl; paclitaxel; MD; molecular dynamics; PCA; principle component analysis; FEL; free energy landscape; RMSD; roo
Smyd3 open & closed lock mechanism for substrate recruitment: The hinge motion of C-terminal domain inferred from μ-second molecular dynamics simulations
Keywords: سطح قابل دسترس حلال; SET; Suppressor of variegation, Enhancer of Zeste, Trithorax; MYND; Myeloid-Nervy-DEAF1; siRNA; small interfering RNA; VEGFR1; vascular endothelial growth factor receptor-1; MD; molecular dynamics; HKMT; histone lysine methyltranferase; RMSD; root-mean sq
Investigations on the role of CHâ¦O interactions and its impact on stability and specificity of penicillin binding proteins
Keywords: سطح قابل دسترس حلال; HBAT; Hydrogen Bond Analysis Tool; HMM; high molecular mass penicillin binding proteins; LMM; low molecular mass penicillin binding proteins; PBPs; penicillin binding proteins; PDB; protein data bank; SASA; solvent accessible surface area; Gram positive b
The E. coli thioredoxin folding mechanism: The key role of the C-terminal helix
Keywords: سطح قابل دسترس حلال; CD; circular dichroism; CTH; C-terminal α-helix; DLS; dynamic light scattering; ESI-MS; electrospray ionization mass spectrometry; GdmCl; guanidinium chloride; HB; hydrogen bond; Iâ and Iâ-sim; high energy intermediate state inferred from experiments
Catalytic performance and molecular dynamic simulation of immobilized CC bond hydrolase based on carbon nanotube matrix
Keywords: سطح قابل دسترس حلال; AFM; atomic force microscopy; CD; circular dichroism; CNT; carbon nanotube; DMF; dimethylformamide; EDC; N-ethyl-Nâ²-(3-(dimethyllamino) propyl) carbodiimide hydrochloride; MD; molecular dynamics; MES; 2-(N-morpholino) ethanesulfonic acid; MWCNT; multi w
Substrate-induced conformational changes in sarcoplasmic reticulum Ca2+-ATPase probed by surface modification using diethylpyrocarbonate with mass spectrometry
Keywords: سطح قابل دسترس حلال; SERCA; sarcoplasmic/endoplasmic reticulum Ca2+ ATPase; DEPC; diethylpyrocarbonate; SR; sarcoplasmic reticulum; E1P; ADP-sensitive phosphoenzyme; E2P; ADP-insensitive phosphoenzyme; AMPPCP; adenosine 5â²-(βï ,γ-methylene)triphosphate; LC/MS; liquid chr
Inhibitory effect of 10 natural phenolic compounds on Fusarium verticillioides. A structure-property-activity relationship study
Keywords: سطح قابل دسترس حلال; Fusarium verticillioides; Natural phenolic compounds; QSAR; Lipophilicity; Molar refractivity; Saturated area; FW; formule weight; MR; molar refractivity; MV; molar volumen; ST; surface tension; P; polarizability; log P; logarithm of the octanol/water pa
Annotating the protein-RNA interaction sites in proteins using evolutionary information and protein backbone structure
Keywords: سطح قابل دسترس حلال; RNA-binding sites; PSSM profile; Torsion angles (Ï, Ï); Solvent accessible surface area; Support vector machine;
Self-organized critical model for protein folding
Keywords: سطح قابل دسترس حلال; Tsallis statistics; Mass-size exponent; Solvent accessible surface area; Self-organized criticality; Scaling;
Computational and mutagenesis studies of the streptavidin native dimer interface
Keywords: سطح قابل دسترس حلال; Streptavidin; Quaternary structure; Molecular dynamics simulation; Solvent accessible surface area; Knob-into-hole interaction
Light chain somatic mutations change thermodynamics of binding and water coordination in the HyHEL-10 family of antibodies
Keywords: سطح قابل دسترس حلال; CDR; complementary determining region; HEL; hen egg white lysozyme; SPR; surface plasmon resonance; ITC; isothermal titration calorimetry; FR; framework residues; RU; response unit; IgG; immunoglobin G; SASA; solvent accessible surface area; Enthalpy; Van
Inactivation of rabbit muscle glycogen phosphorylase b by peroxynitrite revisited: Does the nitration of Tyr613 in the allosteric inhibition site control enzymatic function?
Keywords: سطح قابل دسترس حلال; Glycogen phosphorylase b; Enzymatic activity; Tyrosine nitration; Cysteine oxidation; Peroxynitrite; Mass spectrometry; Solvent accessible surface area
Molecular dynamics simulations of a fibrillogenic peptide derived from apolipoprotein C-II
Keywords: سطح قابل دسترس حلال; apo; apolipoprotein; NMR; nuclear magnetic resonance; Aβ; β-amyloid; MD; molecular dynamics; PME; particle mesh Ewald; VMD; visual molecular dynamics; PEPCAT; peptide conformational analysis tool; SASA; solvent accessible surface area; ROGhyd; radius of
Assessing methods for identifying pair-wise atomic contacts across binding interfaces
Keywords: سطح قابل دسترس حلال; Protein–protein interactions; Voronoi polyhedra; Binding interface; Solvent accessible surface area; Radial cutoff; Protein packing