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 …

Protein–RNA and protein–DNA complexes play critical roles in biology. Despite
considerable recent advances in protein structure prediction, the prediction of the structures …

Protein-nucleic acid complexes play critical roles in biology. Despite considerable recent
advances in protein structure prediction, the prediction of the structures of protein-nucleic …

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 …

RecA protein is the prototypical recombinase. Members of the recombinase family can
accurately repair double strand breaks in DNA. They also provide crucial links between …

Orphan nuclear receptor Nurr1 plays important roles in the progression of various diseases,
including Parkinson's disease, neuroinflammation, Alzheimer's disease, and multiple …

Dihydrolipoamide dehydrogenase (DLDH) is a homodimeric flavin‐dependent enzyme that
catalyzes the NAD+‐dependent oxidation of dihydrolipoamide. The enzyme is part of …

Motivation Given the importance of protein–ribonucleic acid (RNA) interactions in many
biological processes, a variety of docking algorithms have been developed to predict the …

Hyperglycemia is one of the diagnostic issues in diabetes mellitus and is considered as a
complex metabolic condition. It has been one of the most prevalent illnesses of the twenty …