The prediction of biochemical acid dissociation constants using first principles quantum chemical simulations

Journal of Molecular Structure: THEOCHEM

Volumn 532, Issue 1-3, 2000, Pages 127-137

  Tran, N L ^a   Colvin, M E ^a  

^a Biology and Biotechnology Research Program   (United States)

Author keywords

Acid constants; DNA bases; PK(a); Quantum chemistry

Indexed keywords

DNA BASE;

ACCURACY; ARTICLE; DISSOCIATION CONSTANT; ENTHALPY; ENTROPY; PROTON TRANSPORT; QUANTUM CHEMISTRY; SIMULATION; SOLVATION;

EID: 84961977851     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(00)00509-1     Document Type: Article

References (39)