Matches in SemOpenAlex for { <https://semopenalex.org/work/W1990717658> ?p ?o ?g. }
- W1990717658 endingPage "277" @default.
- W1990717658 startingPage "259" @default.
- W1990717658 abstract "The divide-and-conquer technique for linear-scaling quantum mechanical calculations is reviewed. The method divides a large system into many subsystems, determines the density matrix of each subsystem separately, and sums the corresponding subsystem contributions to obtain the total density matrix and the energy of the system. There is a uniform chemical potential to allow transfer of electrons between subsystems and to insure the normalization of the electron density. The implementation of the method for semiempirical quantum chemistry Hamiltonians is described. The review describes the application to the study of the catalytic mechanisms of cytidine deaminase, an enzyme which accelerates the rate of hydrolytic deamination of cytidine to uridine. The linear-scaling quantum mechanical calculations determined the active species of the ground-state complex and the structure of the reaction transition-state analog complex." @default.
- W1990717658 created "2016-06-24" @default.
- W1990717658 creator A5019365851 @default.
- W1990717658 creator A5029666960 @default.
- W1990717658 creator A5089429798 @default.
- W1990717658 date "1998-10-01" @default.
- W1990717658 modified "2023-10-18" @default.
- W1990717658 title "Linear-scaling quantum mechanical calculations of biological molecules: The divide-and-conquer approach" @default.
- W1990717658 cites W1488176310 @default.
- W1990717658 cites W1552183136 @default.
- W1990717658 cites W1578231679 @default.
- W1990717658 cites W1592043406 @default.
- W1990717658 cites W1602234560 @default.
- W1990717658 cites W1964357583 @default.
- W1990717658 cites W1965378620 @default.
- W1990717658 cites W1965752441 @default.
- W1990717658 cites W1966406013 @default.
- W1990717658 cites W1973570552 @default.
- W1990717658 cites W1973854486 @default.
- W1990717658 cites W1974792239 @default.
- W1990717658 cites W1975157420 @default.
- W1990717658 cites W1975230909 @default.
- W1990717658 cites W1975996616 @default.
- W1990717658 cites W1976106600 @default.
- W1990717658 cites W1981182065 @default.
- W1990717658 cites W1982991255 @default.
- W1990717658 cites W1984905663 @default.
- W1990717658 cites W1986131427 @default.
- W1990717658 cites W1986490111 @default.
- W1990717658 cites W1986814683 @default.
- W1990717658 cites W1988241665 @default.
- W1990717658 cites W1997557175 @default.
- W1990717658 cites W1998741062 @default.
- W1990717658 cites W2001703421 @default.
- W1990717658 cites W2001854476 @default.
- W1990717658 cites W2004303971 @default.
- W1990717658 cites W2006588722 @default.
- W1990717658 cites W2007608151 @default.
- W1990717658 cites W2007621886 @default.
- W1990717658 cites W2008558900 @default.
- W1990717658 cites W2008677484 @default.
- W1990717658 cites W2009648773 @default.
- W1990717658 cites W2009900866 @default.
- W1990717658 cites W2011805684 @default.
- W1990717658 cites W2015045657 @default.
- W1990717658 cites W2019104854 @default.
- W1990717658 cites W2020506600 @default.
- W1990717658 cites W2027815611 @default.
- W1990717658 cites W2029195975 @default.
- W1990717658 cites W2030697259 @default.
- W1990717658 cites W2033429577 @default.
- W1990717658 cites W2033577422 @default.
- W1990717658 cites W2033830708 @default.
- W1990717658 cites W2036216577 @default.
- W1990717658 cites W2038825773 @default.
- W1990717658 cites W2043420309 @default.
- W1990717658 cites W2051022330 @default.
- W1990717658 cites W2051798981 @default.
- W1990717658 cites W2052194557 @default.
- W1990717658 cites W2052651399 @default.
- W1990717658 cites W2052997154 @default.
- W1990717658 cites W2055171649 @default.
- W1990717658 cites W2062740120 @default.
- W1990717658 cites W2065655440 @default.
- W1990717658 cites W2065742525 @default.
- W1990717658 cites W2072258077 @default.
- W1990717658 cites W2072565812 @default.
- W1990717658 cites W2072741235 @default.
- W1990717658 cites W2073655863 @default.
- W1990717658 cites W2073719937 @default.
- W1990717658 cites W2076656428 @default.
- W1990717658 cites W2077973224 @default.
- W1990717658 cites W2078007484 @default.
- W1990717658 cites W2087772053 @default.
- W1990717658 cites W2089405697 @default.
- W1990717658 cites W2089431382 @default.
- W1990717658 cites W2090018656 @default.
- W1990717658 cites W2093819269 @default.
- W1990717658 cites W2094557820 @default.
- W1990717658 cites W2095343700 @default.
- W1990717658 cites W2102072648 @default.
- W1990717658 cites W2115878464 @default.
- W1990717658 cites W2127336290 @default.
- W1990717658 cites W2154181301 @default.
- W1990717658 cites W2155358697 @default.
- W1990717658 cites W2230728100 @default.
- W1990717658 cites W2243308466 @default.
- W1990717658 cites W2357137572 @default.
- W1990717658 doi "https://doi.org/10.1016/s0927-0256(98)00029-9" @default.
- W1990717658 hasPublicationYear "1998" @default.
- W1990717658 type Work @default.
- W1990717658 sameAs 1990717658 @default.
- W1990717658 citedByCount "46" @default.
- W1990717658 countsByYear W19907176582012 @default.
- W1990717658 countsByYear W19907176582013 @default.
- W1990717658 countsByYear W19907176582014 @default.
- W1990717658 countsByYear W19907176582015 @default.
- W1990717658 countsByYear W19907176582016 @default.