Homology modeling is one of the computational structure prediction methods that are used
to determine protein 3D structure from its amino acid sequence. It is considered to be the …

Innate immunity driven by pattern recognition receptor (PRR) protects the host from invading
pathogens. Aquatic animals like fish where the adaptive immunity is poorly developed …

Owing to the high mortality and the spread rate, the infectious disease caused by SARS-CoV-
2 has become a major threat to public health and social economy, leading to over 70 million …

Lipid membranes work as barriers, which leads to inevitable drug-membrane interactions in
vivo. These interactions affect the pharmacokinetic properties of drugs, such as their …

With the diversity of lipid-protein interactions, any observed membrane protein dynamics or
functions directly depend on the lipid bilayer selection. However, the implications of lipid …

Dengue virus (DENV) is a danger to more than 400 million people in the world, and there is
no specific treatment. Thus, there is an urgent need to develop an effective method to …

This eclectic volume features two major topics: applications of mass spectrometry in
bioscience; and computational methods for analysis of protein structure and interactions with …

The physiological properties of biological soft matter are the product of collective
interactions, which span many time and length scales. Recent computational modeling …

Slow-onset enzyme inhibitors are of great interest for drug discovery programs since the
slow dissociation of the inhibitor from the drug–target complex results in sustained target …

The program VinaMPI has been developed to enable massively large virtual drug screens
on leadership‐class computing resources, using a large number of cores to decrease the …