Our paper: “Markov state models to study the functional dynamics of proteins in the wake of machine learning” published in JACS Au has been highlighted in its inaugural virtual issue: “Markov state models to study …
Month: April 2022
March 2022
Our collaborative work with Vivian Yam’s group on elucidating the role of Pt···Pt interactions in the self-assembly of platinum(II) complexes has been published in PNAS. Congratulations to Xiaoyan, Siqin, Fu Kit, Chu, and Eshani!
Feb 2022
Our paper on the encoder-neural-network based “RPnet” method for coarse-graining protein dynamics via the reverse projection of transition modes has been selected as a HOT article by Phys. Chem. Chem. Phys.