Molecular docking methodology explores the behavior of small molecules in the binding site
of a target protein. As more protein structures are determined experimentally using X-ray …

Cytochrome P450 (P450) enzymes are important in the metabolism of drugs, steroids, fat-
soluble vitamins, carcinogens, pesticides, and many other types of chemicals. Their catalytic …

Structural biology aims at characterizing the structural and dynamic properties of biological
macromolecules at atomic details. Gaining insight into three dimensional structures of …

High‐resolution experimental structural determination of protein–protein interactions has led
to valuable mechanistic insights, yet due to the massive number of interactions and …

Abstract The HDOCK server (http://hdock. phys. hust. edu. cn/) is a highly integrated suite of
homology search, template-based modeling, structure prediction, macromolecular docking …

Objectives Understanding the novel coronavirus (COVID-19) mode of host cell recognition
may help to fight the disease and save lives. The spike protein of coronaviruses is the main …

Summary ATG9A and ATG2A are essential core members of the autophagy machinery.
ATG9A is a lipid scramblase that allows equilibration of lipids across a membrane bilayer …

Protein complex formation is a central problem in biology, being involved in most of the cell's
processes, and essential for applications, eg drug design or protein engineering. We tackle …

Protein–protein interactions (PPIs) play an important role in the different functions of cells,
but accurate prediction of the three-dimensional structures for PPIs is still a notoriously …

Abstract The ClusPro server (https://cluspro. org) is a widely used tool for protein–protein
docking. The server provides a simple home page for basic use, requiring only two files in …