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Journal of Molecular Structure: THEOCHEM

Volumn 664-665, Issue , 2003, Pages 197-205

Computation of the permanent dipole moment of α-chymotrypsin from linear-scaling semiempirical quantum mechanical methods

(1) Pichierri, Fabio a

a TOHOKU UNIVERSITY (Japan)

Author keywords

Catalytic triad; Linear scaling semiempirical quantum mechanical methods; Protein macrodipoles; Solvent effects; chymotrypsin

Indexed keywords

CHYMOTRYPSIN A; PROTEIN; SOLVENT; WATER;

ARTICLE; CATALYSIS; CONDUCTOR LIKE SCREENING MODEL; DIPOLE; LINEAR SCALING SEMIEMPIRICAL QUANTUM MECHANICAL METHOD; POLARIZATION; QUANTUM MECHANICS; THEORETICAL MODEL;

EID: 17344391368 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/j.theochem.2003.09.003 Document Type: Article

Times cited : (11)

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