The Rosetta software for macromolecular modeling, docking and design is extensively used
in laboratories worldwide. During two decades of development by a community of …

Hierarchical materials that exhibit order over multiple length scales are ubiquitous in nature.
Because hierarchy gives rise to unique properties and functions, many have sought …

Computational Protein Design (CPD) has produced impressive results for engineering new
proteins, resulting in a wide variety of applications. In the past few years, various efforts have …

Computational structure-based protein design programs are becoming an increasingly
important tool in molecular biology. These programs compute protein sequences that are …

The design of tailor-made enzymes is a major goal in biochemical research that can result in
wide-range applications and will lead to a better understanding of how proteins fold and …

Redox cofactor utilization is one of the major barriers to the realization of efficient and cost-
competitive cell-free biocatalysis, especially where multiple redox steps are concerned. The …

β-Propeller proteins form one of the largest families of protein structures, with a pseudo-
symmetrical fold made up of subdomains called blades. They are not only abundant but are …

Graphical models (GMs) define a family of mathematical models aimed at the concise
description of multivariate functions using decomposability. We restrict ourselves to functions …

Computational prediction has become an indispensable aid in the processes of engineering
and designing proteins for various biotechnological applications. With the tremendous …

Proteins are the main active molecules of life. Although natural proteins play many roles, as
enzymes or antibodies for example, there is a need to go beyond the repertoire of natural …