Many efforts are being made in the design and engineering of metalloenzymes with catalytic
properties fulfilling the needs of practical applications. Progress in this field has recently …

Enzymes are an attractive alternative in the asymmetric syntheses of chiral building blocks.
To meet the requirements of industrial biotechnology and to introduce new functionalities …

As a result of evolutionary selection, the subunits of naturally occurring protein assemblies
often fit together with substantial shape complementarity to generate architectures optimal …

Current state-of-the-art approaches to computational protein design (CPD) aim to capture
the determinants of structure from physical principles. While this has led to many successful …

Here, we systematically decompose the known protein structural universe into its basic
elements, which we dub tertiary structural motifs (TERMs). A TERM is a compact backbone …

Finding backbone substructures from the Protein Data Bank that match an arbitrary query
structural motif, composed of multiple disjoint segments, is a problem of growing relevance …

De novo protein design generally consists of two steps, including structure and sequence
design. Many protein design studies have focused on sequence design with scaffolds …

Despite advances in protein engineering, the de novo design of small proteins or peptides
that bind to a desired target remains a difficult task. Most computational methods search for …

Colorectal tumorigenesis is driven by alterations in genes and proteins responsible for
cancer initiation, progression, and invasion. This multistage process is based on a dense …

During the last two decades, the pharmaceutical industry has progressed from detecting
small molecules to designing biologic-based therapeutics. Amino acid-based drugs are a …