Our paper “CATBOSS: Cluster analysis of trajectories based on segment splitting” with the Murphy Lab at Tufts Mathematics is published in J. Chem. Inf. Model.
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Our paper “Structure prediction of cyclic peptides by molecular dynamics + machine learning” is published in Chem. Sci.
Marc Descoteaux is selected as a 2021 Summer Scholar. Congratulations, Marc!
Jovan Damjanovic is selected as a 2021 GIFT teaching fellow. Congratulations, Jovan!
Minh Ho and Nomindari Bayaraa join the group. Welcome, Nomi and Minh!