Adiabatic-Bias Molecular Dynamics Simulations Reveal the Impact of Mutations on Muscarinic Antagonist Unbinding Kinetics. - Adriana Coricello; Anna Lisa Chiaravalle; Maria Musgaard; Benjamin Gerald Tehan; Gian Marco Elisi; Giovanni Bottegoni (J. Chem. Inf. Model., 2025)

Application of Deep Learning to Predict the Persistence, Bioaccumulation, and Toxicity of Pharmaceuticals. - Dominga Evangelista; Elliot Nelson; Rachael Skyner; Ben Tehan; Mattia Bernetti; Marinella Roberti; Maria Laura Bolognesi; Giovanni Bottegoni (J. Chem. Inf. Model., 2025)