Virtual compound screening using molecular docking is widely used in the discovery of new
lead compounds for drug design. However, this method is not completely reliable and …

Federated multipartner machine learning has been touted as an appealing and efficient
method to increase the effective training data volume and thereby the predictivity of models, …

Accurate estimation of ligand–receptor binding affinity is indispensable for computer-assisted
drug discovery and structure-based drug design. Many computational scoring functions for …

Anti-HIV peptides with inhibitory activity against HIV-1 integrase (IN) have been found in
overlapping peptide libraries derived from HIV-1 gene products. In a strand transfer assay using …

The RNase H activity associated with human immunodeficiency virus type 1 (HIV-1) is an
attractive target for an antiretroviral drug development. We screened 20000 small-molecular-…

Highly pathogenic influenza viruses have become a global threat to humans. It is important
to select an effective therapeutic option suitable for the subtypes in an epidemic or pandemic. …

Gamma-secretase modulators (GSMs) selectively inhibit the production of amyloid-β 42 (Aβ42)
and may therefore be useful in the management of Alzheimer’s disease. Most …

DNA topoisomerase I (Top1) catalyzes changes in DNA topology by cleaving and rejoining
one strand of the double stranded (ds)DNA. Eukaryotic Top1s are the cellular target of the …

Molecular dynamics (MD) simulations are extensively used in the study of the structures and
functions of proteins. Ab initio protein structure prediction is one of the most important …

… The 36 Views of Mt Fuji are religious prints. But different from the typical Christian … if Mt Fuji
is shown to have a pervading influence on their lives. The admiration and worship of Mt Fuji is …