Steered Molecular Dynamics Simulation in Rational Drug Design. - Phuc-Chau Do; Eric H. Lee; Ly Le (J. Chem. Inf. Model., 2018)

Steered molecular dynamics simulation as a post-process to optimize the iBRAB-designed Fab model. - Phuc-Chau Do; Vy T. T. Le (J. Comput. Aided Mol. Des., 2024)