Antibody-antigen binding relies on the specific interaction of amino acids at the paratope-
epitope interface. The predictability of antibody-antigen binding is a prerequisite for de novo …

Abstract Machine learning (ML) is a key technology for accurate prediction of antibody–
antigen binding. Two orthogonal problems hinder the application of ML to antibody …

Protein loops connect regular secondary structures and contain 4-residue beta turns which
represent 63% of the residues in loops. The commonly used classification of beta turns …

Protein structure, both at the global and local level, dictates function. Proteins fold from
chains of amino acids, forming secondary structures, α-helices and β-strands, that, at least …

Most of the current understanding of structure–property relations at the molecular and the
supramolecular scales can be formulated in terms of the stability of and the interactions …

Intrinsically disordered protein (IDP) conformers occupy large regions of conformational
space and display relatively flat energy surfaces. Amyloid-forming IDPs, unlike natively …

The optimization approaches classically used during the determination of protein structure
encounter various difficulties, especially when the size of the conformational space is large …

A new structure classification scheme for biopolymers is introduced, which is solely based
on main-chain dihedral angles. It is shown that by dividing a biopolymer into segments …

The heme protein cytochrome c adsorbed to a two-layer gold surface modified with a self-
assembled monolayer of 2-mercaptoethanol was analyzed using a two-dimensional (2D) …

Protein structure prediction is generally based on the use of local conformational information
coupled with long-range distance restraints. Such restraints can be derived from the …