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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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 “Structure prediction of cyclic peptides by molecular dynamics + machine learning” is published in Chem. Sci.
Our paper “Visualizing and understanding ordered surface phases during the Ullmann coupling reaction” with the Sykes Lab at Tufts Chemistry is published in J. Phys. Chem. C.