Materias dentro de su búsqueda.
Materias dentro de su búsqueda.
Models, Molecular
article
20
calculation
14
chemistry
14
priority journal
12
unclassified drug
12
Density functional theory
10
Quantum Theory
10
chemical structure
10
Thermodynamics
8
X ray crystallography
8
X ray diffraction
8
hydrogen bond
8
metabolism
8
nonhuman
8
protein
8
Animals
6
Binding Sites
6
Crystallography, X-Ray
6
Humans
6
Kinetics
6
Magnetic Resonance Spectroscopy
6
Oxygen
6
Protein Conformation
6
Proteins
6
ab initio calculation
6
conformation
6
controlled study
6
energy
6
molecular model
6
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2Materias: “...calculation...”
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4por Silva, A.M.S., Silva, V.L.M., Claramunt, R.M., María, D.S., Ferraro, M.B., Reviriego, F., Alkorta, I., Elguero, J.Materias: “...DFT-D calculations...”
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7Publicado 2015Materias: “...DFT calculation...”
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8por Ebrahimipour, S.Y., Sheikhshoaie, I., Mohamadi, M., Suarez, S., Baggio, R., Khaleghi, M., Torkzadeh-Mahani, M., Mostafavi, A.Materias: “...DFT calculation...”
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9Publicado 2010Materias: “...Ab initio calculations...”
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10Materias: “...Ab initio calculations...”
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11por Fernández, María Laura, Martí, Marcelo Adrián, Crespo, Alejandro, Estrin, Dario ArielMaterias: “...calculation...”
Publicado 2005
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12Materias: “...calculation...”
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13por Capece, Luciana, Martí, Marcelo Adrián, Crespo, Alejandro, Doctorovich, Fabio Ariel, Estrin, Dario ArielMaterias: “...calculation...”
Publicado 2006
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14Materias: “...calculation...”
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15por Martí, Marcelo Adrián, Crespo, Alejandro, Capece, Luciana, Boechi, Leonardo, Bikiel, Damian Ezequiel, Estrin, Dario ArielMaterias: “...calculation...”
Publicado 2006
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16Materias: “...calculation...”
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18Materias: “...Free-energy calculations...”
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19Materias: “...ab initio calculation...”
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20Materias: “...ab initio calculation...”
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