Docking is in demand for the rational computer aided structure based drug design. A review
of docking methods and programs is presented. Different types of docking programs are …

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

Over the last few decades, we have witnessed growing interest from both academic and
industrial laboratories in peptides as possible therapeutics. Bioactive peptides have a high …

Protein–peptide interactions play a crucial role in many cellular and biological functions,
which justify the increasing interest in the development of peptide-based drugs. However …

Motivation Protein–peptide interactions mediate a wide variety of cellular and biological
functions. Methods for predicting these interactions have garnered a lot of interest over the …

Despite recent success in computational design of structured cyclic peptides, de novo
design of cyclic peptides that bind to any protein functional site remains difficult. To address …

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 …

While deep learning (DL) has brought a revolution in the protein structure prediction field,
still an important question remains how the revolution can be transferred to advances in …

To penetrate solid tumors, low molecular weight (Mw< 10 KDa) compounds have an edge
over antibodies: their higher penetration because of their small size. Because of the dense …

Deep learning approaches have spurred substantial advances in the single-state prediction
of biomolecular structures. The function of biomolecules is, however, dependent on the …