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Jeffrey J. Gray

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#machine learning Preprint Sep 2026

Improving scoring functions for protein-protein docking with LambdaLoss

Modeling protein-protein interactions requires accurate scoring functions that can rank potential poses (conformations) of a protein-protein complex to differentiate near-native poses from incorrect ones. Here, we propose a general framework for improving protein-protein pose ranking and other biomolecular interaction...

Richard Zhu, Da Xu, Lee-Shin Chu et al. · 0 citations
Review Open access Jul 2026

Protein engineering: status report

Protein engineering appears to be entering a golden age, defined by a rapidly accelerating pace of progress, even as significant challenges in design, screening, and real-world application remain.

H. Ai, Frances H. Arnold, Doug Barrick et al. · 0 citations
Open access Aug 2026

A blinded, prospective benchmark of in silico antibody discovery anchored to experimental affinity and developability.

The AIntibody challenge shows that AI can optimize antibodies in defined, biologically grounded regimes, in addition to highlighting critical gaps including affinity prediction and library-inspired antibody design and cross-task generalization.

M. Erasmus, Daniel Bedinger, Elizabeth Hopkins et al. · 0 citations
Jul 2026

Deep Learning for Proteins Notebook Series Teaches AI for Biomolecular Structure Prediction and Design

Deep Learning for Proteins: a series of 10 interactive notebook modules that introduce fundamental machine-learning concepts, guide users through training machine-learning models for protein-related tasks, and ultimately present cutting-edge protein structure prediction and design pipelines are developed.

Michael Chungyoun, G. Au, Britnie Carpentier et al. · 0 citations

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