Zaikai He

ComplexDesign is a method for designing multichain protein complexes by optimizing sequences to fold proteins and form inter-chain interactions, achieving high success rates in designing dimers, trimers, and tetramers.

This paper introduces OCDesign, a curriculum-guided framework for multi-property protein design, showing that staged objective introduction improves success rates compared to one-shot optimization.

PocketX uses reinforcement learning to align protein pocket design with biophysical properties, outperforming existing methods on binding energy and evolutionary plausibility.