BiophysicsJournal of Chemical Theory and ComputationPeer-reviewed
Leveraging Machine Learning-Guided Molecular Simulations Coupled with Experimental Data to Decipher Membrane Binding Mechanisms of Aminosterols
Stefano Muscat, Silvia Errico, Andrea Danani…·Gianvito Grasso
This paper uses machine learning and simulations to study how aminosterols bind to neuron-like membranes, showing accurate predictions matching experimental data.