Our paper “Structure prediction of cyclic peptides by molecular dynamics + machine learning” is published in Chem. Sci.
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Marc Descoteaux is selected as a 2021 Summer Scholar. Congratulations, Marc!
Our lab receives the Seed Grant from the Data Intensive Studies Center (DISC) at Tufts! This is a collaborative project with Prof. James Murphy in the […]
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.
Marc Descoteaux joins the group. Welcome, Marc!