Abstract Preclinical Research Cellular proteins are the mediators of multiple organism
functions being involved in physiological mechanisms and disease. By discovering lead …

G-protein-coupled receptors (GPCRs) are among the most intensely investigated drug
targets. The recent revolutions in protein engineering and molecular modeling algorithms …

Metagenomic studies are becoming increasingly widespread, yielding important insights
into microbial communities covering diverse environments from terrestrial to aquatic …

Deep learning is a very computing-intensive and time-consuming task. It needs an amount
of computing resource much greater than a single machine can afford to train a …

The molecular electrostatic potential (MEP) generated by quantum chemistry methods and
Gaussian functions is evaluated over graphics processing units (GPUs). This …

Motivation Molecular docking methods are extensively used to predict the interaction
between protein–ligand systems in terms of structure and binding affinity, through the …

Public distributed computing is a type of distributed computing in which so-called volunteers
provide computing resources to projects. Research show that public distributed computing …

When running single-GPU applications on multi-GPU compute nodes, the remaining GPU
devices are kept idle. We propose a novel technology to accelerate these single-GPU …

The point of having high-performance computing (HPC) is to allow individual nodes to work
together in order to solve a problem larger than any one computer can easily solve. These …

Recent advancement in the field of structural biology has generated huge volume of data
and analyzing such data is vital to know the hidden truths of life but such analysis is compute …