Vibrational averaging of the chemical shift in crystalline α-glycine. - Martin Dracínský; Petr Bour (J. Comput. Chem., 2012)

Parallel variable selection of molecular dynamics clusters as a tool for calculation of spectroscopic properties. - Jirí Kessler; Martin Dracínský; Petr Bour (J. Comput. Chem., 2013)

Can quantum-chemical NMR chemical shifts be used as criterion for force-field development. - Thomas E. Exner; Andrea Frank; Heiko M. Möller; Martin Dracínský (J. Cheminformatics, 2014)