"In the past several years the MP2 method has been used extensively in studies of noncovalent interactions within biological systems such as proteins, DNA/RNA, and protein-ligand complexes. In this work we assess the performance that can be expected of this method, when paired with several different medium and extended basis sets, for the accurate computation of binding energies of hydrogen bonded and dispersion bound biologically derived complexes."@en . "US - Spojen\u00E9 st\u00E1ty americk\u00E9" . "33" . "Riley, Kevin Eugene" . "410880" . . . "Hobza, Pavel" . "Assessment of the MP2 method, along with several basis sets, for the computation of interaction energies of biologically relevant hydrogen bonded and dispersion bound complexes" . "7"^^ . . "[6182EDF8A1F1]" . . "RIV/61388963:_____/07:00092868" . . "111" . "Assessment of the MP2 method, along with several basis sets, for the computation of interaction energies of biologically relevant hydrogen bonded and dispersion bound complexes"@en . . . . . "1089-5639" . "RIV/61388963:_____/07:00092868!RIV08-AV0-61388963" . "Riley, Kevin Eugene" . "8257;8263" . "2"^^ . . . . "2"^^ . "In the past several years the MP2 method has been used extensively in studies of noncovalent interactions within biological systems such as proteins, DNA/RNA, and protein-ligand complexes. In this work we assess the performance that can be expected of this method, when paired with several different medium and extended basis sets, for the accurate computation of binding energies of hydrogen bonded and dispersion bound biologically derived complexes." . "Odhad vhodnosti MP2 metody a n\u011Bkolika baz\u00ED AO pro v\u00FDpo\u010Dty interak\u010Dn\u00EDch energi\u00ED biologicky relevantn\u00EDch komplex\u016F s vod\u00EDkovou vazbou"@cs . "Assessment of the MP2 method, along with several basis sets, for the computation of interaction energies of biologically relevant hydrogen bonded and dispersion bound complexes"@en . . "Odhad vhodnosti MP2 metody a n\u011Bkolika baz\u00ED AO pro v\u00FDpo\u010Dty interak\u010Dn\u00EDch energi\u00ED biologicky relevantn\u00EDch komplex\u016F s vod\u00EDkovou vazbou"@cs . "V minul\u00FDch letech bylo MP2 metoda intenz\u00EDvn\u011B u\u017E\u00EDv\u00E1na pro studie nekovalentn\u00EDch komplex\u016F v biologicky zaj\u00EDmav\u00FDch syst\u00E9mech jako b\u00EDlkoviny, DNA/RNA a b\u00EDlkoviny \u2013 ligand komplexy. V t\u00E9to studii ur\u010Dujeme v\u00FDkonnost MP2 metody za pou\u017Eit\u00ED n\u011Bkolika st\u0159edn\u00EDch a rozs\u00E1hl\u00FDch baz\u00ED AO pro v\u00FDpo\u010Dty interak\u010Dn\u00EDch energi\u00ED komplex\u016F s vod\u00EDkovou vazbou jako\u017E i patrov\u00FDch komplex\u016F."@cs . . "Assessment of the MP2 method, along with several basis sets, for the computation of interaction energies of biologically relevant hydrogen bonded and dispersion bound complexes" . "P(GA203/05/0009), P(LC512), Z(AV0Z40550506)" . "Journal of Physical Chemistry A" . . . . "hydrogen bonded complexes; derived complexes; MP2 method"@en . .