Table 1
Linear regression of the 1H chemical shift perturbation of D-glucose with different amino acids and the correspondent coefficient of determination (R2) value (between parentheses)
Table 2
Linear regression of the 1H chemical shift perturbation of D-galactose with different amino acids and the correspondent coefficient of determination (R2) value
Table 3
Relative energy for the complexes between Glc and Trp (with ZPE and BSSE corrections) at the M06-2X/6-31++G(d,p) level in water (IEF-PCM/Bondi). Bottom and upper are based on the monosaccharide ring
Table 4
Sum of the intermolecular orbital energy interactions obtained by NBO for the complexes between Glc and Trp calculated at the M06-2X/6-31++G(d,p) level
Table 5
Sum of the steric energy of the orbital interactions obtained by NBO for the complexes between Glc and Trp calculated at the M06-2X/6-31++G(d,p) level
Table 6
Energy decomposition analysis for the complexes between Glc and Trp through the SAPT0/6-31++G(d,p) calculation
Table 7
Relative energy for the complexes between Glc and Phe (with ZPE and BSSE corrections) at the M06-2X/6-31++G(d,p) level in water (IEF-PCM/Bondi) and the sum of the intermolecular orbital interactions obtained by NBO calculated at the same level in vacuum
Table 8
Relative energy for the complexes between Glc and His (with ZPE and BSSE corrections) at the M06-2X/6-31++G(d,p) level in water (IEF-PCM/Bondi) and the sum of the intermolecular orbital interactions obtained by NBO calculated at the same level in vacuum
Table 9
Relative energy for the complexes between Gal and Trp (with ZPE and BSSE corrections) at the M06-2X/6-31++G(d,p) level in water (IEF-PCM/Bondi). Bottom and upper are based on the monosaccharide ring
Table 10
Sum of the intermolecular orbital energy interactions obtained by NBO for the complexes between Gal and Trp calculated at the M06-2X/6-31++G(d,p) level
Table 11
Sum of the steric energy of the orbital interactions obtained by NBO for the complexes between Gal and Trp calculated at the M06-2X/6-31++G(d,p) level
Table 12
Energy decomposition analysis for the complexes between Gal and Trp through the SAPT0/6-31++G(d,p) calculation
Table 13
Relative energy for the complexes between Gal and Phe (with ZPE and BSSE corrections) at the M06-2X/6-31++G(d,p) level in water (IEF-PCM/Bondi) and sum the of the intermolecular orbital interactions obtained by NBO calculated at the same level in vacuum
Table 14
Relative energy for the complexes between Gal and His (with ZPE and BSSE corrections) at the M06-2X/6-31++G(d,p) level in water (IEF-PCM/Bondi) and the sum of the intermolecular orbital interactions obtained by NBO calculated at the same level in vacuum