دانلود مقالات ISI درباره ذره مشکی Ewald + ترجمه فارسی

مهار فیبریلاسیون آمیلوئید انسولین توسط هیدرات مور

Inhibition of insulin amyloid fibrillation by Morin hydrate

Keywords: ذره مشکی Ewald; AIns; iatrogenic insulin amyloid; ThT; thioflavin T; ANS; 8 anilinonaphthalene-1-sulfonic acid; APRs; aggregation prone regions; hIAPP; human islet amyloid polypeptide; CD; circular dichroism; TEM; transmission electron microscopy; PDB; protein data bank;

دانلود رایگان متن کامل مقاله ISI 49 صفحه سال انتشار : 2018 سفارش ترجمه

The role of metal substitution in the promiscuity of natural and artificial carbonic anhydrases

Keywords: ذره مشکی Ewald; B3LYP; Becke 3 parameter Lee - Yang - Parr functional; CA; carbonic anhydrase; CHARMM; Chemistry at HARvard Molecular Mechanics; DFT; density functional theory; FF; force field; MD; Molecular Dynamics; NAMD; Nanoscale Molecular Dynamics; NBO; Natural

دانلود رایگان متن کامل مقاله ISI 46 صفحه سال انتشار : 2017 سفارش ترجمه

Molecular insight into mutation-induced conformational change in metastasic bowel cancer BRAF kinase domain and its implications for selective inhibitor design

Keywords: ذره مشکی Ewald; DFG-in; Asp-Phe-Gly-in; DFG-out; Asp-Phe-Gly-out; GAFF; general AMBER force field; HF; Hartree-Fock; MD; molecular dynamics; MM/GBSA; molecular mechanics/generalized Born surface area; PDB; protein data bank; PME; particle mesh Ewald; MBC; metastasic bowe

دانلود رایگان متن کامل مقاله ISI 6 صفحه سال انتشار : 2018 سفارش ترجمه

A Computational workflow for the identification of the potent inhibitor of type II secretion system traffic ATPase of Pseudomonas aeruginosa

Keywords: ذره مشکی Ewald; kj/mol; kilojoule per mol; MD; molecular dynamics; MM; molecular mechanics; MM-GBSA; molecular mechanics - generalized born and surface area; OPLS; optimized potential for liquid simulations; GBSA; generalized-born surface area; PME; particle mesh ewa

دانلود رایگان متن کامل مقاله ISI 11 صفحه سال انتشار : 2018 سفارش ترجمه

Influence of sequence and lipid type on membrane perturbation by human and rat amyloid β-peptide (1-42)

Keywords: ذره مشکی Ewald; Molecular dynamics simulations; Protein-membrane interactions; Amyloid β-peptide (Aβ); Alzheimer's disease (AD); Aβ; amyloid β-peptide; Aβ(40); 40-residue alloform of Aβ; Aβ(42); 42-residue alloform of Aβ; AD; Alzheimer's disease; APP; amyloid pre

دانلود رایگان متن کامل مقاله ISI 13 صفحه سال انتشار : 2017 سفارش ترجمه

Molecular modelling, dynamics simulation and characterization of antifungal chitinase from Sechium edule

Keywords: ذره مشکی Ewald; CFSSP; Chou and Fasman Secondary Structure Prediction Server; BLAST; Basic Local Alignment Search Tool; LINC; Linear Constraint Solver; PME; Particle Mesh Ewald; Under researched plants of North-East India; Molecular docking; Bioinformatics; Chitinase;

دانلود رایگان متن کامل مقاله ISI 28 صفحه سال انتشار : 2017 سفارش ترجمه

Structure-function studies of BPP-BrachyNH2 and synthetic analogues thereof with Angiotensin I-Converting Enzyme

Keywords: ذره مشکی Ewald; Docking; Molecular dynamics simulations; Molecular mechanics Poisson-Boltzmann surface area; g_mmpbsa; proline-Rich oligopeptide; Toxicological prediction; ACE; Angiotensin-I converting enzyme; ADT; AutoDock Tools; CC50; Mean cytotoxic concentration; IC50

دانلود رایگان متن کامل مقاله ISI 33 صفحه سال انتشار : 2017 سفارش ترجمه

Using green solvent, triethyl phosphate (TEP), to fabricate highly porous PVDF hollow fiber membranes for membrane distillation

Keywords: ذره مشکی Ewald; TEP; triethyl phosphate; PVDF; polyvinylidene fluoride; NMP; N-Methyl-2-pyrrolidone; MD; membrane distillation; DCMD; direct contact membrane distillation; DMF; dimethylformamide; DMAc; dimethylacetamide; IPA; isopropanol; FESEM; field emission scanning e

دانلود رایگان متن کامل مقاله ISI 41 صفحه سال انتشار : 2017 سفارش ترجمه

Computer-aided design of aptamers for cytochrome p450

Keywords: ذره مشکی Ewald; VEGF; vascular endothelial growth factor; SELEX; Systematic Evolution of Ligands by EXponential enrichment; CYP51; cytochrome p450 51A1, lanosterol 14α-demethylase; MD; molecular dynamics; PME; particle mesh Ewald; MM-PBSA; Molecular Mechanics Poissonâ

دانلود رایگان متن کامل مقاله ISI 8 صفحه سال انتشار : 2015 سفارش ترجمه

Novel serine-based gemini surfactants as chemical permeation enhancers of local anesthetics: A comprehensive study on structure-activity relationships, molecular dynamics and dermal delivery

Keywords: ذره مشکی Ewald; Dermal drug delivery; Chemical permeation enhancers; Tetracaine; Ropivacaine; Serinebased surfactants; Molecular dynamics simulations; ACN; acetonitrile; CD; cyclodextrin; CMC; critical micelle concentration; CPE; chemical permeation enhancer; DMEM; Dulbe

دانلود رایگان متن کامل مقاله ISI 9 صفحه سال انتشار : 2015 سفارش ترجمه

Molecular characterization of p.Asp77Gly and the novel p.Ala163Val and p.Ala163Glu mutations causing protein C deficiency

Keywords: ذره مشکی Ewald; PC; Protein C; APC; Activated protein C; FVa; activated factor V; FVIIIa; activated factor VIII; PS; protein S; FV; native factor V; PROC; gene for human PC; Gla; gamma-carboxyglutamic acid; EGF; epidermal growth factor; SP; serine protease; VTE; venous t

دانلود رایگان متن کامل مقاله ISI 9 صفحه سال انتشار : 2015 سفارش ترجمه

Molecular modeling and molecular dynamics simulations of GPI 14 in Leishmania major: Insight into the catalytic site for active site directed drug design

Keywords: ذره مشکی Ewald; CL; cutaneous leishmaniasis; MCL; mucocutaneous leishmaniasis; VL; visceral leishmaniasis; LPG; lipophosphoglycan; GIPLs; glycoinositolphospholipids; GPI; glycosylphosphatidylinositol; iNOS; inducible nitric oxide synthase; NO; nitric oxide; PPG; proteoph

دانلود رایگان متن کامل مقاله ISI 10 صفحه سال انتشار : 2014 سفارش ترجمه

Donor substrate binding and enzymatic mechanism of human core α1,6-fucosyltransferase (FUT8)

Keywords: ذره مشکی Ewald; ADP; adenosine 5′-diphosphate; BSA; bovine serum albumin; cePOFUT1; Caenorhabditis elegans protein O-fucosyltransferase 1; EGF; epidermal growth factor; Fcγ; fragment, crystallizable gamma; FID; free induction decay; FUT8; human α1,6-fucosyltransferas

دانلود رایگان متن کامل مقاله ISI 11 صفحه سال انتشار : 2012 سفارش ترجمه

Identification of the critical structural determinants of the EF-hand domain arrangements in calcium binding proteins

Keywords: ذره مشکی Ewald; Ca2+; calcium; CaBPs; calcium binding proteins; CaM; calmodulin; CNB; calcineurin B; SCP; sarcoplasmic calcium binding protein; TnC; troponin C; TnI; troponin I; TnT; troponin T; Tn; troponin; hCLP; human calmodulin-like protein; CIB1; calcium and integri

دانلود رایگان متن کامل مقاله ISI 12 صفحه سال انتشار : 2012 سفارش ترجمه

Peptide screening to knockdown Bcl-2's anti-apoptotic activity: Implications in cancer treatment

Keywords: ذره مشکی Ewald; Bax BH3; BH3 domain of Bax; BH3 peptides; peptides representing BH3 domain of pro-apoptotic and BH3-only proteins; Small peptides; pentapeptides, tetrapeptides and tripeptides; BH3 cleft; Bcl-2 hydrophobic groove formed by BH3 BH1 and BH2 domains; IGDdep;

دانلود رایگان متن کامل مقاله ISI 19 صفحه سال انتشار : 2012 سفارش ترجمه

Water transport in human aquaporin-4: Molecular dynamics (MD) simulations

Keywords: ذره مشکی Ewald; MD; molecular dynamics; SMD; steered MD; PDB; protein data bank; RMSD; root mean-squared deviation; POPC; palmitoyl-oleoyl-phosphatidyl-choline; PSF; protein structure file; NPA; Asn-Pro-Ala; PME; Particle Mesh Ewald; BD-FDT; brownian dynamics fluctuation

دانلود رایگان متن کامل مقاله ISI 6 صفحه سال انتشار : 2011 سفارش ترجمه

Fast electrostatic force calculation on parallel computer clusters

Keywords: ذره مشکی Ewald; Fast multipole method; Particle mesh Ewald; Plane wave; Parallel algorithm

دانلود رایگان متن کامل مقاله ISI 17 صفحه سال انتشار : 2008 سفارش ترجمه

Dynamical and structural properties of charged and uncharged lidocaine in a lipid bilayer

Keywords: ذره مشکی Ewald; DMPC; Dimyristoylphosphatidylcholine; EPR; Electron paramagnetic resonance; FTIR; Fourier-transform infrared spectroscopy; MSD; Mean square displacement; MFT; Mean field theory; NMR; Nucleic magnetic resonance; PME; Particle mesh Ewald; RDF; Radial distri

دانلود رایگان متن کامل مقاله ISI 9 صفحه سال انتشار : 2007 سفارش ترجمه

Molecular dynamics simulations of a fibrillogenic peptide derived from apolipoprotein C-II

Keywords: ذره مشکی Ewald; 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

دانلود رایگان متن کامل مقاله ISI 12 صفحه سال انتشار : 2007 سفارش ترجمه

Fast empirical pKa prediction by Ewald summation

Keywords: ذره مشکی Ewald; PME, particle mesh Ewald; PBE, Poisson–Boltzmann equationProtein pKa prediction; Poisson–Boltzmann; Particle mesh Ewald; Crystal space; Force field optimization

دانلود رایگان متن کامل مقاله ISI 6 صفحه سال انتشار : 2006 سفارش ترجمه

Structural effects of small molecules on phospholipid bilayers investigated by molecular simulations

Keywords: ذره مشکی Ewald; DMSO; dimethylsulfoxide; DPPC; dipalmitoylphosphatidylcholine; GROMOS; Groningen molecular simulation; NERD; Nath, Escobedo and de Pablo revised force-field; NMR; nuclear magnetic resonance; PME; particle mesh Ewald; SOPC; stearoyloleoylphosphatidylcholin

دانلود رایگان متن کامل مقاله ISI 6 صفحه سال انتشار : 2005 سفارش ترجمه