Molecular docking is a process through which small molecules are docked into the
macromolecular structures for scoring its complementary values at the binding sites. It is a …

Most proteins perform their biological function by interacting with themselves or other
molecules. Thus, one may obtain biological insights into protein functions, disease …

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 …

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 and protein–DNA/RNA interactions play a fundamental role in a variety of
biological processes. Determining the complex structures of these interactions is valuable, in …

Protein–peptide interactions are crucial in many cellular functions. Therefore, determining
the structure of protein–peptide complexes is important for understanding the molecular …

The outbreak of a novel coronavirus, which was later formally named the severe acute
respiratory coronavirus 2 (SARS-CoV-2), has caused a worldwide public health crisis …

Advances in a scientific discipline are often measured by small, incremental steps. In this
review, we report on two intertwined disciplines in the protein structure prediction field …

There is increasing evidence that ACE2 gene polymorphism can modulate the interaction
between ACE2 and the SARS-CoV-2 spike protein affecting the viral entry into the host cell …

Bacterial drug resistance is becoming increasingly serious, and it is urgent to develop
effective antibacterial drugs. Antimicrobial peptides (AMPs), as potential candidates against …