In Silico Fragment Screening by Replica Generation (FSRG) Method for Fragment-Based Drug Design. - Yoshifumi Fukunishi; Tadaaki Mashimo; Masaya Orita; Kazuki Ohno; Haruki Nakamura (J. Chem. Inf. Model., 2009)

Virtual-system-coupled adaptive umbrella sampling to compute free-energy landscape for flexible molecular docking. - Junichi Higo; Bhaskar Dasgupta; Tadaaki Mashimo; Kota Kasahara; Yoshifumi Fukunishi; Haruki Nakamura (J. Comput. Chem., 2015)

Variation of free-energy landscape of the p53 C-terminal domain induced by acetylation: Enhanced conformational sampling. - Shinji Iida; Tadaaki Mashimo; Takashi Kurosawa; Hironobu Hojo; Hiroya Muta; Yuji Goto; Yoshifumi Fukunishi; Haruki Nakamura; Junichi Higo (J. Comput. Chem., 2016)