Efficient Conformational Sampling of Collective Motions of Proteins with Principal Component Analysis-Based Parallel Cascade Selection Molecular Dynamics. - Takunori Yasuda; Yasuteru Shigeta; Ryuhei Harada (J. Chem. Inf. Model., 2020)

Structural Validation by the G-Factor Properly Regulates Boost Potentials Imposed in Conformational Sampling of Proteins. - Takunori Yasuda; Rikuri Morita; Yasuteru Shigeta; Ryuhei Harada (J. Chem. Inf. Model., 2022)

Protein Structure Validation Derives a Smart Conformational Search in a Physically Relevant Configurational Subspace. - Takunori Yasuda; Rikuri Morita; Yasuteru Shigeta; Ryuhei Harada (J. Chem. Inf. Model., 2022)

Ribosome Tunnel Environment Drives the Formation of α-Helix during Cotranslational Folding. - Takunori Yasuda; Rikuri Morita; Yasuteru Shigeta; Ryuhei Harada (J. Chem. Inf. Model., 2024)

BEMM-GEN: A Toolkit for Generating a Biomolecular Environment-Mimicking Model for Molecular Dynamics Simulation. - Takunori Yasuda; Rikuri Morita; Yasuteru Shigeta; Ryuhei Harada (J. Chem. Inf. Model., 2024)