K. Frimand

Protein distance constraints predicted by neural networks and probability density functions.

O. Lund, S. Brunak, J. Gorodkin, 1997, Protein engineering.

A comparative study of MP2, B3LYP, RHF and SCC-DFTB force fields in predicting the vibrational spectra of N-acetyl-L-alanine-N'-methyl amide: VA and VCD spectra

Sándor Suhai, Henrik Bohr, Karl J. Jalkanen, 1999 .

Neural-network analysis of the vibrational spectra of N-acetyl L-alanyl N'-methyl amide conformational states.

S Suhai, H. Bohr, K. Frimand, 2001, Physical review. E, Statistical, nonlinear, and soft matter physics.

Use of vibrational spectroscopy to study protein and DNA structure, hydration, and binding of biomolecules: A combined theoretical and experimental approach

K. Frimand, R. Wade, S. Suhai, 2006 .

A comparison of aqueous solvent models used in the calculation of the Raman and ROA spectra of l-alanine

H. Bohr, J. Bohr, K. Frimand, 2001 .

Structures, vibrational absorption and vibrational circular dichroism spectra of L-alanine in aqueous solution: a density functional theory and RHF study

Sándor Suhai, Henrik Bohr, Karl J. Jalkanen, 2000 .

SCC-TB, DFT/B3LYP, MP2, AM1, PM3 and RHF study of ethylene oxide and propylene oxide structures, VA and VCD spectra

K. Frimand, K. Jalkanen, 2002 .