Designing protein mutants with both high stability and activity is a critical yet challenging task in protein engineering. Here, we introduce PRIME, a deep learning model, which can suggest protein mutants with improved stability and activity without any prior experimental mutagenesis data for the specified protein. Leveraging temperature-aware language modeling, PRIME demonstrated superior predictive ability compared to current state-of-the-art models on the public mutagenesis dataset across 283 protein assays.
View Article and Find Full Text PDFAccurately modeling the protein fitness landscapes holds great importance for protein engineering. Pre-trained protein language models have achieved state-of-the-art performance in predicting protein fitness without wet-lab experimental data, but their accuracy and interpretability remain limited. On the other hand, traditional supervised deep learning models require abundant labeled training examples for performance improvements, posing a practical barrier.
View Article and Find Full Text PDFWater-in-salt electrolytes (WiSEs) have attracted extensive attention as promising alternatives to organic electrolytes. The limited electrochemical stability windows (ESWs) of aqueous electrolytes are significantly widened by WiSEs. However, the actual ESWs are lower than predicted as the interphase with WiSEs is not as stable as the solid electrolyte interphase (SEI) in conventional lithium-ion batteries.
View Article and Find Full Text PDFThe vibrational properties of crystalline bulk materials are well described by Debye theory, which successfully predicts the quadratic ω low-frequency scaling of the vibrational density of states. However, the analogous framework for nanoconfined materials with fewer degrees of freedom has been far less well explored. Using inelastic neutron scattering, we characterize the vibrational density of states of amorphous ice confined inside graphene oxide membranes and we observe a crossover from the Debye ω scaling to an anomalous ω behaviour upon reducing the confinement size L.
View Article and Find Full Text PDF