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David Scheerer

Publications and source records attributed to David Scheerer.

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Control of protein activity by photoinduced spin polarized charge reorganization

Considerable electric fields are present within living cells, and the role of bioelectricity has been well established at the organismal level. Yet little is known about electric-field effects on protein function. Here we use phototriggered charge injection from a site-specifically attached ruthenium photosensitizer to directly demonstrate the effects of charge redistribution within a protein. We find that binding of an antibody to phosphoglycerate kinase (PGK) is increased two folds under illumination. Remarkably, illumination is found to suppress the enzymatic activity of PGK by a factor as large as three. These responses are sensitive to the photosensitizer position on the protein. Surprisingly, left (but not right) circularly polarized light elicits these responses, indicating that the electrons involved in the observed dynamics are spin polarized, due to spin filtration by protein chiral structures. Our results directly establish the contribution of electrical polarization as an allosteric signal within proteins. Future experiments with phototriggered charge injection will allow delineation of charge rearrangement pathways within proteins and will further depict their effects on protein function.

physics.chem-ph

Faithful Attention Explainer: Verbalizing Decisions Based on Discriminative Features

In recent years, model explanation methods have been designed to interpret model decisions faithfully and intuitively so that users can easily understand them. In this paper, we propose a framework, Faithful Attention Explainer (FAE), capable of generating faithful textual explanations regarding the attended-to features. Towards this goal, we deploy an attention module that takes the visual feature maps from the classifier for sentence generation. Furthermore, our method successfully learns the association between features and words, which allows a novel attention enforcement module for attention explanation. Our model achieves promising performance in caption quality metrics and a faithful decision-relevance metric on two datasets (CUB and ACT-X). In addition, we show that FAE can interpret gaze-based human attention, as human gaze indicates the discriminative features that humans use for decision-making, demonstrating the potential of deploying human gaze for advanced human-AI interaction.

cs.CL