Protein-ligand docking is currently an important tool in drug discovery efforts and an active
area of research that has been the subject of important developments over the last decade …

It has been twenty years since the first rationally designed small molecule drug was
introduced into the market. Since then, we have progressed from designing small molecules …

Cutting-Edge Techniques to Better Analyze and Predict Complex Physical Phenomena
Geometric Modeling and Mesh Generation from Scanned Images shows how to integrate …

Heterogeneous multicore architectures have the potential to improve energy efficiency by
integrating power-efficient wimpy cores with high-performing brawny cores. However, it is an …

Virtual screening has been widely used in the drug discovery process. Ligand-based virtual
screening (LBVS) methods compare a library of compounds with a known active ligand. Two …

Detecting and analysing protein cavities provides significant information about active sites
for biological processes (eg protein–protein or protein–ligand binding) in molecular graphics …

Resin-rich areas (aka resin-rich zones or resin pockets) are a common phenomenon in fiber-
reinforced polymer (FRP) composites that significantly impact composite material properties …

The study of hydration, folding, and interaction of proteins by volumetric measurements has
been promoted by recent advances in the development of highly sensitive instrumentations …

A protein consists of linearly combined amino acids via peptide bonds, and an amino acid
consists of atoms. It is known that the geometric structure of a protein is the primary factor …

The proximity and topology among particles are often the most important factor for
understanding the spatial structure of particles. Reasoning the morphological structure of …