8 citations · 15 across the 8 of their papers we have counts for
3 papers · 1 filter
Protein Dynamics Beyond Structure Prediction
Juliette Griffié, Sviatlana Shashkova, Antonio Ciarlo +41
The ability to predict protein three-dimensional structures from amino acid sequences is a landmark achievement in molecular biology, where recent deep learning approaches such as…
Navigating protein landscapes with a machine-learned transferable coarse-grained model
Nicholas E. Charron, Felix Musil, Andrea Guljas +18
The most popular and universally predictive protein simulation models employ all-atom molecular dynamics (MD), but they come at extreme computational cost. The development of a uni…
Machine Learning in Molecular Dynamics Simulations of Biomolecular Systems
Christopher Kolloff, Simon Olsson
Machine learning (ML) has emerged as a pervasive tool in science, engineering, and beyond. Its success has also led to several synergies with molecular dynamics (MD) simulations, w…