Molecular Dynamics Simulations Suggest that Electrostatic Funnel Directs Binding of Tamiflu to Influenza N1 Neuraminidases. - Ly Le; Eric H. Lee; David J. Hardy; Thanh N. Truong; Klaus Schulten (PLoS Comput. Biol., 2010)

Molecular Basis of Drug Resistance in A/H1N1 Virus. - Ariela Vergara Jaque; Horacio Poblete; Eric H. Lee; Klaus Schulten; Fernando D. González Nilo; Christophe Chipot (J. Chem. Inf. Model., 2012)

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