Specific interactions and binding free energies between thermolysin and dipeptides: Molecular simulations combined with Ab initio molecular orbital and classical vibrational analysis. - Kenichi Dedachi; Tatsuya Hirakawa; Seiya Fujita; Mahmud Tareq Hassan Khan; Ingebrigt Sylte; Noriyuki Kurita (J. Comput. Chem., 2011)

Development of SAAP3D force field and the application to replica-exchange Monte Carlo simulation for chignolin and C-peptide. - Michio Iwaoka; Toshiki Suzuki; Yuya Shoji; Kenichi Dedachi; Taku Shimosato; Toshiya Minezaki; Hironobu Hojo; Hiroyuki Onuki; Hiroshi Hirota (J. Comput. Aided Mol. Des., 2017)