Keywords: روش قطعه مولکولی قطعه قطعه; Hematopoietic prostaglandin D synthase; Crystal water molecule; Interaction energy; Fragment molecular orbital method; Crystal structure analysis; Drug design;
مقالات ISI روش قطعه مولکولی قطعه قطعه (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: روش قطعه مولکولی قطعه قطعه; Fragment molecular orbital method; Influenza virus neuraminidase; Hydration of ligands; Solvation energy; Oseltamivir; Zanamivir; N-acetylneuraminic acid; Drug design;
Relating stacking structures and charge transport in crystal polymorphs of the pyrrole-based Ï-conjugated molecule
Keywords: روش قطعه مولکولی قطعه قطعه; Charge transport; Crystal polymorphism; Dipyrrolyldiketone difluoroboron complex; Electronic coupling; Fragment molecular orbital method;
Explicit solvation modulates intra- and inter-molecular interactions within DNA: Electronic aspects revealed by the ab initio fragment molecular orbital (FMO) method
Keywords: روش قطعه مولکولی قطعه قطعه; Fragment molecular orbital method; DNA; Solvation; Interaction energy; Energy decomposition analysis; ABINIT-MP;
Accuracy of the fragment molecular orbital (FMO) calculations for DNA: Total energy, molecular orbital, and inter-fragment interaction energy
Keywords: روش قطعه مولکولی قطعه قطعه; Fragment molecular orbital method; DNA; Polynucleotide; Interaction energy; Molecular orbital; MP2;
The effects of amino-acid mutations on specific interactions between urokinase-type plasminogen activator and its receptor: Ab initio molecular orbital calculations
Keywords: روش قطعه مولکولی قطعه قطعه; Cancer metastasis; Cancer invasion; Urokinase-type plasminogen activator; Urokinase receptor; Molecular mechanics simulation; Fragment molecular orbital method; Molecular orbital calculation; Specific interaction; Protein–protein interaction; Antagonist
Ligand-dependent conformation change reflects steric structure and interactions of a vitamin D receptor/ligand complex: A fragment molecular orbital study
Keywords: روش قطعه مولکولی قطعه قطعه; 1α,25-Dihydroxy-19-nor-vitamin D3; Conformation changes; Fragment molecular orbital method; Receptor–ligand interaction analysis
Specific interactions between aryl hydrocarbon receptor and dioxin congeners: Ab initio fragment molecular orbital calculations
Keywords: روش قطعه مولکولی قطعه قطعه; Aryl hydrocarbon receptor; Dioxin; Molecular mechanics simulation; Fragment molecular orbital method; Ab initio molecular orbital calculation; Specific interaction between protein and ligand
Ab initio molecular orbital calculations on specific interactions between urokinase-type plasminogen activator and its receptor
Keywords: روش قطعه مولکولی قطعه قطعه; Cancer metastasis; Cancer invasion; Urokinase-type plasminogen activator; uPAR; Molecular mechanics simulation; Fragment molecular orbital method; Molecular orbital calculation; Specific interaction; Protein–protein interaction
Ab initio study of molecular interactions in higher plant and Galdieria partita Rubiscos with the fragment molecular orbital method
Keywords: روش قطعه مولکولی قطعه قطعه; Photosynthesis; Rubisco; Loop6; Galdieria partita; Thermophilic red algae; Fragment molecular orbital method; Inter-fragment interaction energy;
Aggregation mechanism of polyglutamine diseases revealed using quantum chemical calculations, fragment molecular orbital calculations, molecular dynamics simulations, and binding free energy calculations
Keywords: روش قطعه مولکولی قطعه قطعه; Polyglutamine diseases; PolyQ; Pathogeny; Huntington's disease; Kennedy disease; CAG repeat; Aggregation mechanism; Quantum chemical calculation; Density functional theory; DFT; Fragment molecular orbital method; FMO; Molecular dynamics simulation;