New Conformational Search Method Using Genetic Algorithm and Knot Theory for Proteins. - Yoshitake Sakae; Tomoyuki Hiroyasu; Mitsunori Miki; Yuko Okamoto (Pacific Symposium on Biocomputing, 2011)

Protein structure predictions by parallel simulated annealing molecular dynamics using genetic crossover. - Yoshitake Sakae; Tomoyuki Hiroyasu; Mitsunori Miki; Yuko Okamoto (J. Comput. Chem., 2011)

Enhanced sampling method in molecular simulations using genetic algorithm for biomolecular systems. - Yoshitake Sakae; John E. Straub; Yuko Okamoto (J. Comput. Chem., 2019)

Absolute Protein Binding Free Energy Simulations for Ligands with Multiple Poses, a Thermodynamic Path That Avoids Exhaustive Enumeration of the Poses. - Yoshitake Sakae; Bin W. Zhang; Ronald M. Levy; Nan-Jie Deng (J. Comput. Chem., 2020)