Proteins are nature's primary building blocks for the construction of sophisticated molecular
machines and dynamic materials, ranging from protein complexes such as photosystem II …

Protein structures are stabilized by multiple weak interactions, including the hydrophobic
effect, hydrogen bonds, electrostatic effects, and van der Waals interactions. Among these …

Metalloproteins present a considerable challenge for modeling, especially when the starting
point is far from thermodynamic equilibrium. Examples include formidable problems such as …

Vicinal disulfides between sequence-adjacent cysteine residues are very rare and rather
startling structural features which play a variety of functional roles. Typically discussed as an …

Functionalization of nanoparticles with biopolymers has yielded a wide range of structured
and responsive hybrid materials. DNA provides the ability to program length and recognition …

Zinc is an important trace element, and it can be used in combination with proteins to play an
important biological function. In this paper, three types of prediction tools based on …

Protein G is an IgG binding protein that has been widely exploited for biotechnological
purposes. Rosetta protein modeling identified a set of favorable polar mutations in Protein G …

Abstract Structure-based protein design tests our understanding of the minimal determinants
of protein structure and function. Previous studies have demonstrated that placing zinc …

Highlights•Construction of protein arrays is an emerging field.•There have been few
successful strategies, especially in 3D.•Approaches that employ symmetry benefit from …

The computer-based design of PPIs (protein–protein interactions) is a challenging problem
because large desolvation and entropic penalties must be overcome by the creation of …