Density of States–Based Molecular Simulations
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چکیده
منابع مشابه
Selective in-vitro Enzymes’ Inhibitory Activities of Fingerprints Compounds of Salvia Species and Molecular Docking Simulations
Recently Nutrition and Food Chemistry researches have been focused on plants and their products or their secondary metabolites having anti-alzheimer, anti-cancer, anti-aging, and antioxidant properties. Among these plants Salvia L. (Lamiaceae) species come into prominence with their booster effects due to high antioxidant contents, which have over 900 species in the world and 98 in Turkey. Some...
متن کاملSelective in-vitro Enzymes’ Inhibitory Activities of Fingerprints Compounds of Salvia Species and Molecular Docking Simulations
Recently Nutrition and Food Chemistry researches have been focused on plants and their products or their secondary metabolites having anti-alzheimer, anti-cancer, anti-aging, and antioxidant properties. Among these plants Salvia L. (Lamiaceae) species come into prominence with their booster effects due to high antioxidant contents, which have over 900 species in the world and 98 in Turkey. Some...
متن کاملMolecular simulations
Graphics packages are great for visualizing biological molecules, but they don’t tell you much about how they change when they’re in action. To see the behaviour of molecules, you need molecular simulations. Molecular dynamics uses detailed physical models to produce a movie of the molecule in motion. A newcomer to simulation methodology might need an online lesson such as that provided at the ...
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چکیده ندارد.
15 صفحه اولDiffusion of molecules in the bulk of a low density amorphous ice from molecular dynamics simulations.
The diffusion of molecules in interstellar ice is a fundamental phenomenon to take into account while studying the formation of complex molecules in this ice. This work presents a theoretical study on the diffusion of H2O, NH3, CO2, CO, and H2CO in the bulk of a low density amorphous (LDA) ice, while taking into account the physical conditions prevailing in space, i.e. temperatures below 150 K ...
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ژورنال
عنوان ژورنال: Annual Review of Chemical and Biomolecular Engineering
سال: 2012
ISSN: 1947-5438,1947-5446
DOI: 10.1146/annurev-chembioeng-062011-081032