"Density-functional, density-functional tight-binding, and wave-function calculations on biomolecular systems" . "26" . "Journal of Physical Chemistry A" . "Na n\u011Bkolika p\u0159\u00EDkladech studi\u00ED biomolekul jsme zkoumali p\u0159esnost a pou\u017Eitelnost metod zalo\u017Een\u00FDch na teorii funkcion\u00E1lu hustoty a dopln\u011Bn\u00FDch opravn\u00FDm \u010Dlenem pro disperzn\u00ED energii. Interak\u010Dn\u00ED energie, struktura a infra\u010Derven\u00E1 spektra z\u00EDskan\u00E1 pro reprezentativn\u00ED z\u00E1stupce biomolekulov\u00FDch soustav dob\u0159e souhlas\u00ED s referen\u010Dn\u00EDmi daty."@cs . "5642;5647" . . "\u0158ez\u00E1\u010D, Jan" . "Otyepka, M." . "Two approaches combining density-functional-theory calculations with an empirical dispersion-energy term are investigated in terms of performance and usability in the studies of biomolecular systems. The interaction energy, structure and infrared spectra yielded for selected representative systems are found in a good agreement with reference data."@en . . "P(GA203/05/0009), P(GD203/05/H001), P(IAA400550510), P(LC512), Z(AV0Z40550506), Z(MSM6198959216)" . . . "Density-functional, density-functional tight-binding, and wave-function calculations on biomolecular systems"@en . . "US - Spojen\u00E9 st\u00E1ty americk\u00E9" . . "Kuba\u0159, Tom\u00E1\u0161" . "Valdes, Haydee" . . . "Jure\u010Dka, Petr" . "Pou\u017Eit\u00ED v\u00FDpo\u010Detn\u00EDch metod zalo\u017Een\u00FDch na teorii funkcion\u00E1lu hustoty pro studium biomolekulov\u00FDch soustav a srovn\u00E1n\u00ED s jin\u00FDmi kvantov\u011B-chemick\u00FDmi metodami"@cs . "Hobza, Pavel" . "Two approaches combining density-functional-theory calculations with an empirical dispersion-energy term are investigated in terms of performance and usability in the studies of biomolecular systems. The interaction energy, structure and infrared spectra yielded for selected representative systems are found in a good agreement with reference data." . "416210" . . "1089-5639" . . . "111" . "RIV/61388963:_____/07:00090271" . "[05C58C263DE0]" . . . "7"^^ . . . . . "RIV/61388963:_____/07:00090271!RIV08-AV0-61388963" . "Pou\u017Eit\u00ED v\u00FDpo\u010Detn\u00EDch metod zalo\u017Een\u00FDch na teorii funkcion\u00E1lu hustoty pro studium biomolekulov\u00FDch soustav a srovn\u00E1n\u00ED s jin\u00FDmi kvantov\u011B-chemick\u00FDmi metodami"@cs . "6"^^ . "Density-functional, density-functional tight-binding, and wave-function calculations on biomolecular systems"@en . . . . . "density functional theory; empirical dispersion-energy term; non-covalent interactions"@en . "\u010Cern\u00FD, Ji\u0159\u00ED" . "Density-functional, density-functional tight-binding, and wave-function calculations on biomolecular systems" . . "6"^^ . . . . "Valdes, Haydee" .