Keywords: دینامیک مولکولی بصری; hFGF1; human fibroblast growth factor-1; SDM; site directed mutagenesis; CD; circular dichroism; HSQC; heteronuclear single quantum coherence; ATCC; American Type Culture Collection; VMD; Visual Molecular Dynamics; ITC; Isothermal titration calorimetry; F
مقالات ISI دینامیک مولکولی بصری (ترجمه نشده)
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Keywords: دینامیک مولکولی بصری; EST2; esterase 2 from A. acidocaldarius; EST2-S35C; serine 35 to cysteine EST2 mutant; AchE; acetylcholinesterases; OP; organophosphate; QDs; quantum dots; LOD; limits of detection; PEC; photoelectrochemical; p-NP; p-Nitrophenyl; TBP; Tri-n-butylphosphine
Keywords: دینامیک مولکولی بصری; B3LYP; Becke Three-Parameter Lee-Yang-Parr; B3LYP-D3; Becke Three-Parameter Lee-Yang-Parr method with Grimme's corrections for Van der Walls forces; CENAPAD-SP; Centro Nacional de Processamento de Alto Desempenho do Estado de São Paulo; DFT; density fu
Keywords: دینامیک مولکولی بصری; CRD; Cysteine-rich domain; GPCR; G protein coupled receptors; GTs; Glycosylated terpenoids; mGluR3; Metabotropic glutamate receptor 3; MPA; MultiPoint Attachment model; PDB; Protein data bank; QSAR; Quantitative Structure-Analysis Relationship; SG; Stevio
Keywords: دینامیک مولکولی بصری; BSO; buthioninesulfoximine; Cys; cysteine; DOPC; 1,2-dioleoyl-sn-glycero 3 phosphocoline; DEM; diethyl maleate, DTT, dithiotreitol; cGPx4; cytosolic GPx4; CL; cardiolipin; GPx; glutathione peroxidases; -OOH; hydroperoxide group; MD; molecular dynamics; mG
Keywords: دینامیک مولکولی بصری; DPPC; dipalmitoylphosphatidylcholine; MD; molecular dynamics; DOPC; dioleoyl-phosphatidylcholine; VMD; Visual Molecular Dynamics; SPC; simple point charge; LINCS; linear constraint solver; PME; particle-mesh Ewald; PDF; probability density function; CDF;
Keywords: دینامیک مولکولی بصری; 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: دینامیک مولکولی بصری; Thermal spray coating; Molecular dynamics; Copper; Particle impact; Flattening aspect ratio; BCC; body centred cubic; CR; cooling rate; CNA; common neighbour analysis; DXA; dislocation extraction algorithm; E; activation energy; Exx; strain tensor in x, y
Insights into the aquaporin 4 of zebrafish (Danio rerio) through evolutionary analysis, molecular modeling and structural dynamics
Keywords: دینامیک مولکولی بصری; 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
An integrated computational hierarchy for identification of potent inhibitors against Shikimate Kinase enzyme from Shigella sonnei, a major cause of global dysentery
Keywords: دینامیک مولکولی بصری; ATP; adenosine triphosphate; SK; Shikimate Kinase; PDB; Protein Data Bank; GOLD; Genetic Optimization for Ligand Docking; VMD; Visual Molecular Dynamics; DS; Discovery Studio; PRDOS; Protein DisOrder prediction System; PK; pharmacokinetics; BBB; blood-bra
Probing the role of proline â135 on the structure, stability, and cell proliferation activity of human acidic fibroblast growth factor
Keywords: دینامیک مولکولی بصری; Fibroblast growth factor; Heparin binding; Charge-reversal; Bioactivity; Stability; human acidic fibroblast growth factor-1; hFGF1; wildtype hFGF1; wt-hFGF1; site directed mutagenesis; SDM; circular dichroism; CD; heteronuclear single quantum coherence; H
Flaviviridae viruses use a common molecular mechanism to escape nucleoside analogue inhibitors
Keywords: دینامیک مولکولی بصری; Flaviviridae; Virus; Polymerase; Analogue; Interrogating; Water; CMA; 2'-C-methyladenosine; CMA-TP; 2'-C-methyladenosine Triphosphate; CPUs; Computer-Processing Units; HCV; Hepatitis C Virus; JEV; Japanese Encephalitis Virus; NTP; Nucleoside Triphosphate;
Microfluidic-based G-quadruplex ligand displacement assay for alkaloid anticancer drug screening
Keywords: دینامیک مولکولی بصری; G4; G-quadruplex; CD; circular dichroism; CL; chemiluminescence; MD; molecular dynamics; SAU; sanguinarine; BER; berberine; CHE; chelerythrine; MAT; matrine; LIG; ligustrazine; PMT; photomultiplier tube; PME; Particle mesh Ewald method; GAFF; general AMBE
Molecular dynamics simulations of Zika virus NS3 helicase: Insights into RNA binding site activity
Keywords: دینامیک مولکولی بصری; Zika virus; Flavivirus; NS3 helicase; Molecular dynamics; FTMap; Drug discovery; ZIKV; Zika virus; NS; non-structural; NS3h; NS3 helicase; PrM; membrane precursor; MD; molecular dynamics; RMSF; root mean square fluctuation; PDB; protein data bank; VMD; Vi
Structural analysis and insight into Zika virus NS5 mediated interferon inhibition
Keywords: دینامیک مولکولی بصری; ZIKV; Zika virus; NS5; non-structural protein 5; SIAH2; seven in absentia homolog 2; STAT2; Signal Transducer and Activator of Transcription 2; MTase; methyltransferase; IFN; interferon; IRF9; Interferon Regulatory Factor 9; ISGF3; Interferon-Stimulated G
Interactions of human P-glycoprotein transport substrates and inhibitors at the drug binding domain: Functional and molecular docking analyses
Keywords: دینامیک مولکولی بصری; CSA; cyclosporin A; DBD; drug-binding domain; DMD; defined molecular docking; EPI; epirubicin; LBE; lowest binding energy; MDA; molecular docking analysis; MDR; multidrug resistance; MFI; mean fluorescence intensity; P-gp; P-glycoprotein; R123; rhodamine
All-atom molecular dynamics simulations of lung surfactant protein B: Structural features of SP-B promote lipid reorganization
Keywords: دینامیک مولکولی بصری; SP-B; surfactant protein B; LS; lung surfactant; PC; phosphocholine; DPPC; 1,2-dipalmitoyl-sn-glycero-3-phosphocholine; PG; phosphatidylglycerol; POPC; 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine; AA; all-atom; CG; coarse-grained; MD; molecular dynam
Research paperMolecular principles behind Boceprevir resistance due to mutations in hepatitis C NS3/4A protease
Keywords: دینامیک مولکولی بصری; HCV; hepatitis C virus; MD; molecular dynamics; RMSD; root mean square deviation; RMSF; root mean square fluctuation; Rg; radius of gyration; VMD; visual molecular dynamics; HCV; Molecular dynamics; Simulations; Boceprevir; Resistance; Mutants;
Twinning anisotropy of tantalum during nanoindentation
Keywords: دینامیک مولکولی بصری; BCC; body centred cubic; CAT; crystal analysis tool; COMB; charge optimised many body potentials; DFT; density-functional theory; DXA; dislocation extraction algorithm; EAM; embedded-atom-method; FCC; face centred cubic; GB; grain boundary; MD; molecular
Mechanical recruitment of N- and C-crosslinks in collagen type I
Keywords: دینامیک مولکولی بصری; α; alpha value; ANOVA; analysis of variance; Cα; alpha carbon; CHARMM/CHARMm; Chemistry at HARvard Molecular Mechanics; deH-HLNL; dehydro-hydroxylysino-norleucine; deH-LNL; dehydro-lysino-norleucine; ECM; extracellular matrix; GBIS; generalized Born imp
A human ether-á-go-go-related (hERG) ion channel atomistic model generated by long supercomputer molecular dynamics simulations and its use in predicting drug cardiotoxicity
Keywords: دینامیک مولکولی بصری; 1-NP; 1-naphthol; APBS; adaptive Poisson-Boltzmann solver; DBI; Davies-Bouldin index; DMSO; dimethylsulfoxide; EC; extracellular buffer; GAFF; generalized amber force field; hERG; human ether-á-go-go-related K+ ion channel; IC; intracellular buffer;
Adsorption of DNA onto anionic lipid surfaces
Keywords: دینامیک مولکولی بصری; AFM; Atomic force microscopy; BAM; Brewster angle microscopy; CCC; Critical coagulation concentration; CG; Coarse grain; CHO; Cholesterol; CHO-K1; Chinese hamster ovary-K1; COO; Carboxylic acid; DCP; Dicetylphosphate; DSC; Differential scanning calorimetr
Rotational and hinge dynamics of discoidal high density lipoproteins probed by interchain disulfide bond formation
Keywords: دینامیک مولکولی بصری; apo; apolipoprotein; apoA-I/HDL; reconstituted HDL; DMPC; dimyristoylphosphatidylcholine; HDL; high density lipoproteins; LL5/5; double belt rotamer forming a pairwise helix 5 domain; LL5/6; double belt rotamer forming pairwise helix 5/6 domains; LL5/4; d
MH2c: Characterization of major histocompatibility α-helices - an information criterion approach
Keywords: دینامیک مولکولی بصری; MH2c; MH helix curves (name of software); TR; T cell receptor; p; peptide; MH; major histocompatibility; MH1; major histocompatibility class I; MH2; major histocompatibility class II; G; binding groove; CDR; complementarity determining region; MD; Molecul
Molecular dynamics simulations of a fibrillogenic peptide derived from apolipoprotein C-II
Keywords: دینامیک مولکولی بصری; 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