Calibration of force-field dependency in free energy landscapes of peptide conformations by quantum chemical calculations. - Satoshi Ono; Masataka Kuroda; Junichi Higo; Nobuyuki Nakajima; Haruki Nakamura (J. Comput. Chem., 2002)

A novel descriptor based on atom-pair properties. - Masataka Kuroda (J. Cheminformatics, 2017)