High enzyme stability facilitates development of biocatalytic processes because of the
reduced catalyst inactivation, the increased solubility of substrates and products and the …

Protein engineering aimed at enhancing enzyme stability is increasingly supported by
computational methods for calculation of mutant folding energies and for the design of …

The use of enzymes in industrial catalysis can result in large environmental benefits.
Enzymes often have a high activity and specificity and thereby are able to convert raw …

The ability to engineer enzymes and other proteins to any desired stability would have wide-
ranging applications. Here, we demonstrate that computational design of a library with …

Proteins and especially their structures play an essential role in computational structural
biology. With accurate characterizations of proteins, processes like drug design and docking …

We have developed a method to both predict the geometry and the relative stability of point
mutants that may be used for arbitrary mutations. The geometry optimization procedure was …

Ideal values of bond angles and lengths used as external restraints are crucial for the
successful refinement of protein crystal structures at all but the highest of resolutions. The …

The refinement of proteins at resolutions lower than atomic depends upon the use of
restraints on the geometry and ADPs. The almost exclusively used library of target geometric …

In this study, the application of temperature‐based replica‐exchange (T‐ReX) simulations
for structure refinement of decoys taken from the I‐TASSER dataset was examined. A set of …

Introductory biochemistry texts often note that the fold of a protein is completely defined
when the dihedral angles ϕ and ψ are known for each amino acid. This assertion was …