Keywords: جستجوی سازمانی; Piperine; Piperidine derivatives; Conformational search; DFT; Stability;
مقالات ISI جستجوی سازمانی (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: جستجوی سازمانی; High lipophilicity; Flexible compounds; Chromatographic-based measurement; Conformational search
Keywords: جستجوی سازمانی; Pyridylpropenoic acids; Spectroscopic methods; Conformational search; Modelling intermolecular hydrogen bonds
Keywords: جستجوی سازمانی; First principle calculations; Conformational search; Global minimum; IR spectrum; Rotational constant; Dipole moment;
Keywords: جستجوی سازمانی; Ion mobility; Collisional cross sections; Phosphopeptide ions; Infrared multiphoton dissociation; Conformational search;
Conformational analysis of a TADDOL-based phosphoramidite P,N ligand in a palladium(II) η3-Ï-allyl complex
Keywords: جستجوی سازمانی; TADDOL; Phosphoramidite; P,N ligands; Palladium(II); Conformational search; DFT;
Conformational and NBO studies of serotonin as a radical scavenger. Changes induced by the OH group
Keywords: جستجوی سازمانی; Serotonin; Atoms in molecules theory; Density functional theory; Ionization potentials; Bond dissociation enthalpies; Molecular electrostatic potential; Natural bond orbital analysis; Conformational search;
Conformational properties of a pyridyl-substituted cinnamic acid studied by NMR measurements and computations
Keywords: جستجوی سازمانی; Z-2(3′-pyridyl)-3-phenylpropenoic acid; Conformational behaviour; Conformational search; Quantum chemical methods; NMR; NOESY measurements
Conformational studies and solvent-accessible surface area analysis of known selective DNA G-Quadruplex binders
Keywords: جستجوی سازمانی; G-quadruplex; Conformational search; Solvent-accessible surface area; Boltzmann population; TRAP
Comprehensive computational study of gas-phase conformations of neutral, protonated and deprotonated glutamic acids
Keywords: جستجوی سازمانی; Conformational search; Glutamic acid; Proton detachment energy; First principle calculation;
Computational study on the conformations of mitragynine and mitragynaline
Keywords: جستجوی سازمانی; Conformational search; Mitragynine; Mitragynaline; Molecular mechanics; MMFF94s; B3LYP;
Structural studies of homoisoflavonoids: NMR spectroscopy, X-ray diffraction, and theoretical calculations
Keywords: جستجوی سازمانی; Homoisoflavonoid; X-ray diffraction; NMR chemical shift; Molecular modeling; Conformational search; DFT/GIAO NMR shielding;
Hierarchical approach to conformational search and selection of computational method in modeling the mechanism of ester ammonolysis
Keywords: جستجوی سازمانی; Reaction mechanisms; Computational chemistry; Conformational search; Transition states
Simulated annealing coupled replica exchange molecular dynamics—An efficient conformational sampling method
Keywords: جستجوی سازمانی; Structure optimization; Conformational search; Molecular simulation; Molecular dynamics simulation; Peptide folding; Protein structure refinement
An Approach to Predicting Hematopoietic Stem Cell Transplantation Outcome Using HLA-Mismatch Information Mapped on Protein Structure Data
Keywords: جستجوی سازمانی; Hematopoietic stem cell transplantation; HLA mismatch; Donor–recipient matching; HLAp–T cell receptor complex; Protein structure analysis; Conformational search
Role of complexes formation between drugs and penetration enhancers in transdermal delivery
Keywords: جستجوی سازمانی; Conformational search; Small molecule–small molecule interactions; Transdermal delivery; Penetration enhancers
Conformation of oleuropein, the major bioactive compound of Olea europea
Keywords: جستجوی سازمانی; Oleuropein; Hydroxytyrosol; Elenolic acid; Conformational search;
Preferred conformations of the gas phase complex between Li+ and a model macrocycle tetraamide
Keywords: جستجوی سازمانی; Ab initio; Gas-phase binding of metal ions; NBO analysis; Conformational search; Macrocycle tetraamides;
Conformational analysis of ephedrine using molecular mechanical, semi-empirical and ab initio quantum mechanical methods
Keywords: جستجوی سازمانی; Ephedrine; Ephedrinium; Conformational search; NMR; Crystal structure;
Analyzing the performance of conformational search programs on compound databases
Keywords: جستجوی سازمانی; Conformational search; Conformer generation; Sampling efficiency; Conformational ensemble; Compound databases
Identification of the bioactive conformation for mucin epitope peptides
Keywords: جستجوی سازمانی; Conformational flexibility; Binding free energy; Molecular dynamics; Conformational search; Drug design; Bioactive structures; Rational library design;
Crystal structure of carnidazole form II from synchrotron Xâray powder diffraction: Structural comparison with form I, the hydrated form and the low energy conformations in vacuo
Keywords: جستجوی سازمانی; crystal structure; Xâray powder diffractometry; carnidazole; crystallography; polymorphism; molecular modeling; conformational search; differential scanning calorimetry (DSC);
Conformational search and dimerization study of average structures of asphaltenes
Keywords: جستجوی سازمانی; Asphaltenes; Conformational search; Dimerization; Molecular dynamics; Semiempirical;
Theoretical study of stereoselective reduction controlled by NADH analogs
Keywords: جستجوی سازمانی; Stereoselectivity; NADH; Solvent effect; NADH mimics; Conformational search;