Proteins participate in various essential processes in vivo via interactions with other
molecules. Identifying the residues participating in these interactions not only provides …

Target identification is an important step in drug discovery, and computer-aided drug target
identification methods are attracting more attention compared with traditional drug target …

PrankWeb is an online resource providing an interface to P2Rank, a state-of-the-art method
for ligand binding site prediction. P2Rank is a template-free machine learning method based …

Background Ligand binding site prediction from protein structure has many applications
related to elucidation of protein function and structure based drug discovery. It often …

The characterization of interactions in protein–ligand complexes is essential for research in
structural bioinformatics, drug discovery and biology. However, comprehensive tools are not …

Protein‐ligand interactions are a necessary prerequisite for signal transduction,
immunoreaction, and gene regulation. Protein‐ligand interaction studies are important for …

The identification of protein–ligand binding sites is critical to protein function annotation and
drug discovery. The consensus algorithm COACH developed by us represents one of the …

Open screening endeavors play and will play a key role to facilitate the identification of new
bioactive compounds in order to foster innovation and to improve the effectiveness of …

Many research groups and institutions have created a variety of databases curating
experimental and predicted data related to protein-ligand binding. The landscape of …

Many central biological events rely on protein–ligand interactions. The identification and
characterization of protein-binding sites for ligands are crucial for the understanding of …