Protein therapeutics typically require a concentrated protein formulation, which can lead to
self-association and/or high viscosity due to protein–protein interaction (PPI). Excipients are …

Computer-aided drug design (CADD) approaches are playing an increasingly important role
in understanding the fundamentals of ligand-receptor interactions and helping medicinal …

Structural determination of protein-protein complexes such as multidomain nuclear
receptors has been challenging for high-resolution structural techniques. Here, we present a …

Protein docking methods are powerful computational tools to study protein‐protein
interactions (PPI). While a significant number of docking algorithms have been developed …

Abstract Formulation of protein-based therapeutics employ advanced formulation and
analytical technologies for screening various parameters such as buffer, pH, and excipients …

AutoDock is a widely used automated protein docking program in virtual screening of
structure-based drug design. Several search algorithms such as simulated annealing …

In addition to protein–protein docking, this CAPRI edition included new challenges, like
protein–water and protein–sugar interactions, or the prediction of binding affinities and ΔΔG …

The study of the 3D structural details of protein interactions is essential to understand
biomolecular functions at the molecular level. In this context, the limited availability of …

We propose a fast clustering and reranking method, CyClus, for protein–protein docking
decoys. This method enables comprehensive clustering of whole decoys generated by rigid …

Molecular docking is an important method for the research of protein-protein interaction and
recognition. A protein can be considered as a network when the residues are treated as its …