A significant fraction of every proteome is occupied by biologically active proteins that do not
form unique three-dimensional structures. These intrinsically disordered proteins (IDPs) and …

The state-of-the-art for Monte Carlo (MC) simulations of biomacromolecules is reviewed.
Available methodologies for sampling conformational equilibria and associations of …

Abstract Background The Ramachandran plot is a fundamental tool in the analysis of protein
structures. Of the 4 basic types of Ramachandran plots, the interactions that determine the …

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) spike glycoprotein is the
prime target for vaccines, diagnostics, and therapeutic antibodies against the virus. While …

The poly (Pro) II (PII) conformation is increasingly recognized as an important element in
peptide and protein conformation. Circular dichroism (CD) is one of the most useful methods …

On the occasion of their fiftieth birthday, it is opportune to review the first half century of
Ramachandran plots. In the present review, some of the most relevant aspects of this fifty …

Solid-state NMR spectroscopy has had a major impact on our understanding of the structure
of mineralized tissues, in particular bone. Bone exemplifies the organic–inorganic composite …

Peptides have become valuable as catalysts for a variety of different reactions, but little is
known about the conformational properties of peptidic catalysts. We investigated the …

Natural product and synthetic macrocycles are chemically and topologically diverse. An
efficient, accurate, and general method for generating macrocycle conformations would …

Computational protein and drug design generally require accurate modeling of protein
conformations. This modeling typically starts with an experimentally determined protein …