Arvind S. Pillai

This study designs allosterically controlled enzymes using denoising diffusion models, showing that activity can be activated or repressed by designed effectors.

This paper presents computational methods for designing GPCR-binding miniproteins and validates them through high-throughput screening, producing agonists and antagonists for multiple GPCRs.

This study investigates how vertebrate hemoglobin evolved from a homodimeric ancestor to a heterotetramer through simple genetic changes that exploited symmetry in its structure.

The paper investigates the evolutionary dynamics of self-assembly in prokaryotic citrate synthases, finding frequent transitions between different assembly types without strong functional consequences.

This paper designs allosterically switchable protein assemblies using rigid-body coupling of effector-switchable modules, demonstrating cooperative ligand binding and structural changes similar to natural systems.

The paper designs nanomolar binders for diverse small molecules using a pseudocycle-based shape complementarity method, enabling direct conversion into sensing systems.