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You are here: Home :: Keyword index :: pre bis ret :: pyroglutamate - Qualitätssicherung QM/MM

Items for "QM/MM"

Generalized Hybrid Orbitals in the FA-ADMA Method

The field-adapted adjustable density matrix assembler (FA-ADMA), developed for ab initio quality quantum chemistry computations of proteins and other macromolecules, divides a molecule (the target) into fuzzy fragments...

Keywords: Ab-Initio Quality, Fuzzy Density Fragmentation, QM/MM, Border Region, Proteins

07/2006 | Zeitschrift für Physikalische Chemie, Oldenbourg Wissenschaftsverlag