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–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 …

We present an updated and integrated version of our widely used protein–protein docking
and binding affinity benchmarks. The benchmarks consist of non-redundant, high-quality …

Protein–RNA and protein–DNA interactions play fundamental roles in many biological
processes. A detailed understanding of these interactions requires knowledge about protein …

Structural, regulatory and enzymatic proteins interact with DNA to maintain a healthy and
functional genome. Yet, our structural understanding of how proteins interact with DNA is …

Molecular modeling by means of docking and molecular dynamics (MD) has become an
integral part of early drug discovery projects, enabling the screening and enrichment of large …

Proteins are the bricks and mortar of cells, playing structural and functional roles. In order to
perform their function, they interact with each other as well as with other biomolecules such …

Nucleic acid–ligand interactions play an important role in numerous cellular processes such
as gene function expression and regulation. Therefore, nucleic acids such as RNAs have …

Protein‐nucleic acid interactions are involved in various cellular processes. Therefore,
determining the structures of protein‐nucleic acid complexes can provide insights into the …

Modeling biomolecular assemblies is an important field in computational structural biology.
The inherent complexity of their energy landscape and the computational cost associated …