Solvent accessible surface area (SASA) of proteins has always been considered as a
decisive factor in protein folding and stability studies. It is defined as the surface …

Recent successes in protein design have illustrated the promise of computational
approaches. These methods rely on energy expressions to evaluate the quality of different …

Computational procedures for predicting metabolic interventions leading to the
overproduction of biochemicals in microbial strains are widely in use. However, these …

We report the development and initial experimental validation of a computational design
procedure aimed at generating enzyme-like protein catalysts called “protozymes.” Our …

The burial of hydrophobic amino acids in the protein core is a driving force in protein folding.
The extent to which an amino acid interacts with the solvent and the protein core is naturally …

Specific protein–protein interactions are crucial in signaling networks and for the assembly
of multi-protein complexes, and represent a challenging goal for protein design. Optimizing …

Although de novo protein design is an important endeavor with implications for
understanding protein folding, until now, structures have been determined for only a few 25 …

Predictive methods for the computational design of proteins search for amino acid
sequences adopting desired structures that perform specific functions. Typically, design …

A 'protein design cycle', involving cycling between theory and experiment, has led to recent
advances in rational protein design. A reductionist approach, in which protein positions are …

The dead-end elimination (DEE) theorems are powerful tools for the combinatorial
optimization of protein side-chain placement in protein design and homology modeling. In …