Rokas Petrenas

Expanding all-α-helical protein space through rational computational design

The paper designs de novo all-α-helical proteins using computational methods and validates their stability and structure.

Biomolecular condensation using de novo designed globular proteins

This paper designs globular proteins that drive biomolecular condensation and demonstrates their use in forming dynamic condensates in cells.

Rapid Assessment of Size, Shape, and Chemical Complementarity of Ligands for Computational Protein Design

The paper develops a computational method to design proteins that bind small molecules tightly and specifically, validated experimentally with X-ray crystallography and functional assays.

Confinement and Catalysis Within De Novo Designed Peptide Barrels

This paper designs and characterizes peptide barrels that can bind and catalyze reactions between small molecules in solution.

CC + : A Searchable Database of Validated Coiled coils in PDB Structures and AlphaFold2 Models

The paper updates a database of coiled-coil structures from experimental data and AlphaFold2 models, enabling searches and analysis of coiled-coil assemblies and their sequence-structure relationships.

Rationally seeded computational protein design

This paper describes a computational method for designing -helical-barrel proteins with small molecule-binding channels, achieving high expression and structural accuracy in E. coli.