Integrative structure determination is a powerful approach to modeling the structures of
biological systems based on data produced by multiple experimental and theoretical …

1. Introduction 3082. Plan of this article 3123. Natural mechanisms of development of novel
protein functions 3133.1 Divergence 3133.2 Recruitment 3163.3 'Mixing and matching'of …

AlphaFold2 revolutionized structural biology with the ability to predict protein structures with
exceptionally high accuracy. Its implementation, however, lacks the code and data required …

Multiple structural alignment is a fundamental problem in structural genomics. In this article,
we define a reliable and robust algorithm, MUSTANG (MUltiple STructural AligNment …

We present an algorithm for the automatic alignment of two 3D shapes (data and model),
without any assumptions about their initial positions. The algorithm computes for each …

We report the largest and most comprehensive comparison of protein structural alignment
methods. Specifically, we evaluate six publicly available structure alignment programs …

We introduce a method of looking at, analyzing, and comparing protein structures. The
topology of a protein is captured by 30 numbers inspired by Vassiliev knot invariants. To …

Background Protein tertiary structure comparisons are employed in various fields of
contemporary structural biology. Most structure comparison methods involve generation of …

The most popular estimator of structural similarity is the root-mean-square distance (rmsd)
between equivalent atoms, computed after optimal superposition of the two structures that …

Proteins share similar segments with one another. Such “reused parts”—which have been
successfully incorporated into other proteins—are likely to offer an evolutionary advantage …