Sergi Rodà

Iterative computational bioprospecting of hydroxymethylfurfural oxidases combining molecular simulation and machine learning

The paper identifies improved hydroxymethylfurfural oxidases through iterative computational methods combining molecular simulation and machine learning.

Multi-objective Engineering of Trimethylamine Monooxygenase for Improved Thermostability and Cofactor Use

This paper improves an enzyme's thermostability and cofactor compatibility through multi-objective engineering, achieving variants with better heat resistance and higher cofactor activity retention.

Efficient Design of Affilin(R) Protein Binders for HER3

This study combines AI/physics-based computation and phage display to design high-affinity Affilin(R) proteins targeting HER3, achieving successful theranostic candidates with high affinity and stability.

Efficient and accurate sequence generation with small-scale protein language models

This paper introduces a small-scale protein language model that achieves comparable performance to larger models with significantly reduced computational requirements.