Matches in SemOpenAlex for { <https://semopenalex.org/work/W1981506114> ?p ?o ?g. }
Showing items 1 to 93 of
93
with 100 items per page.
- W1981506114 endingPage "298" @default.
- W1981506114 startingPage "287" @default.
- W1981506114 abstract "An empirical potential is introduced that is suitable for calculation of the interaction enegies of biomolecules with thousands of atoms. The potential consists of electrostatic, repulsion, and dispersion energy terms. The approach used for parametrization of the potential is entirely different from that used with other existing potentials. Namely, all the terms were parametrized independently to retain their physical significance. The sum of the electrostatic and repulsion terms mimic the SCF interaction energy calculated using Huzinaga's minimal basis set MINI-1. The dispersion energy is very important and is usually predominant for the interactions of large (polar) molecules in the gas phase as well as in the liquid phase." @default.
- W1981506114 created "2016-06-24" @default.
- W1981506114 creator A5012381676 @default.
- W1981506114 creator A5082972514 @default.
- W1981506114 date "1989-09-01" @default.
- W1981506114 modified "2023-10-10" @default.
- W1981506114 title "An empirical potential for interactions of large molecules: Application to binding of dipeptides to DNA" @default.
- W1981506114 cites W1976503003 @default.
- W1981506114 cites W1984493489 @default.
- W1981506114 cites W2002059574 @default.
- W1981506114 cites W2005347185 @default.
- W1981506114 cites W2022737610 @default.
- W1981506114 cites W2037647914 @default.
- W1981506114 cites W2048979255 @default.
- W1981506114 cites W2057739752 @default.
- W1981506114 cites W2080640510 @default.
- W1981506114 cites W2094699142 @default.
- W1981506114 cites W2095253533 @default.
- W1981506114 cites W2107029002 @default.
- W1981506114 cites W2155524113 @default.
- W1981506114 cites W2601432896 @default.
- W1981506114 doi "https://doi.org/10.1002/qua.560360312" @default.
- W1981506114 hasPublicationYear "1989" @default.
- W1981506114 type Work @default.
- W1981506114 sameAs 1981506114 @default.
- W1981506114 citedByCount "7" @default.
- W1981506114 countsByYear W19815061142014 @default.
- W1981506114 crossrefType "journal-article" @default.
- W1981506114 hasAuthorship W1981506114A5012381676 @default.
- W1981506114 hasAuthorship W1981506114A5082972514 @default.
- W1981506114 hasConcept C117626034 @default.
- W1981506114 hasConcept C121332964 @default.
- W1981506114 hasConcept C121864883 @default.
- W1981506114 hasConcept C126061179 @default.
- W1981506114 hasConcept C147597530 @default.
- W1981506114 hasConcept C147789679 @default.
- W1981506114 hasConcept C159467904 @default.
- W1981506114 hasConcept C177562468 @default.
- W1981506114 hasConcept C184779094 @default.
- W1981506114 hasConcept C185424724 @default.
- W1981506114 hasConcept C185592680 @default.
- W1981506114 hasConcept C186370098 @default.
- W1981506114 hasConcept C202887219 @default.
- W1981506114 hasConcept C22499117 @default.
- W1981506114 hasConcept C32909587 @default.
- W1981506114 hasConcept C49853544 @default.
- W1981506114 hasConcept C55493867 @default.
- W1981506114 hasConcept C62520636 @default.
- W1981506114 hasConcept C74902906 @default.
- W1981506114 hasConcept C84551667 @default.
- W1981506114 hasConcept C93282013 @default.
- W1981506114 hasConceptScore W1981506114C117626034 @default.
- W1981506114 hasConceptScore W1981506114C121332964 @default.
- W1981506114 hasConceptScore W1981506114C121864883 @default.
- W1981506114 hasConceptScore W1981506114C126061179 @default.
- W1981506114 hasConceptScore W1981506114C147597530 @default.
- W1981506114 hasConceptScore W1981506114C147789679 @default.
- W1981506114 hasConceptScore W1981506114C159467904 @default.
- W1981506114 hasConceptScore W1981506114C177562468 @default.
- W1981506114 hasConceptScore W1981506114C184779094 @default.
- W1981506114 hasConceptScore W1981506114C185424724 @default.
- W1981506114 hasConceptScore W1981506114C185592680 @default.
- W1981506114 hasConceptScore W1981506114C186370098 @default.
- W1981506114 hasConceptScore W1981506114C202887219 @default.
- W1981506114 hasConceptScore W1981506114C22499117 @default.
- W1981506114 hasConceptScore W1981506114C32909587 @default.
- W1981506114 hasConceptScore W1981506114C49853544 @default.
- W1981506114 hasConceptScore W1981506114C55493867 @default.
- W1981506114 hasConceptScore W1981506114C62520636 @default.
- W1981506114 hasConceptScore W1981506114C74902906 @default.
- W1981506114 hasConceptScore W1981506114C84551667 @default.
- W1981506114 hasConceptScore W1981506114C93282013 @default.
- W1981506114 hasIssue "3" @default.
- W1981506114 hasLocation W19815061141 @default.
- W1981506114 hasOpenAccess W1981506114 @default.
- W1981506114 hasPrimaryLocation W19815061141 @default.
- W1981506114 hasRelatedWork W1981506114 @default.
- W1981506114 hasRelatedWork W2001192128 @default.
- W1981506114 hasRelatedWork W2050617616 @default.
- W1981506114 hasRelatedWork W2503092139 @default.
- W1981506114 hasRelatedWork W2570835507 @default.
- W1981506114 hasRelatedWork W2741867528 @default.
- W1981506114 hasRelatedWork W2908855751 @default.
- W1981506114 hasRelatedWork W2945687165 @default.
- W1981506114 hasRelatedWork W3023251336 @default.
- W1981506114 hasRelatedWork W4280648203 @default.
- W1981506114 hasVolume "36" @default.
- W1981506114 isParatext "false" @default.
- W1981506114 isRetracted "false" @default.
- W1981506114 magId "1981506114" @default.
- W1981506114 workType "article" @default.