An exploration of machine learning models for the determination of reaction coordinates associated with conformational transitions

Naleem, N., Abreu, C. R. A., Warmuz, K., Tong, M., Kirmizialtin, S., and Tuckerman, M. E. An exploration of machine learning models for the determination of reaction coordinates associated with conformational transitions. J. Chem. Phys. 159, 034102 (2023)