Abstract The coronavirus disease 2019 (COVID-19) is caused by SARS-CoV-2. This virus
has a high mismatch repair proofreading ability due to its unique exonuclease activity …

GaudiMM (for Genetic Algorithms with Unrestricted Descriptors for Intuitive Molecular
Modeling) is here presented as a modular platform for rapid 3D sketching of molecular …

The scoring functions for protein-ligand interactions plays central roles in computational
drug design, virtual screening of chemical libraries for new lead identification, and prediction …

Limitations in the applicability, accuracy, and precision of individual structure
characterization methods can sometimes be overcome via an integrative modeling …

Microalgae are very rich in bioactive compounds, minerals, polysaccharides, poly-
unsaturated fatty acids and vitamins, and these rich constituents make microalgae an …

Hundreds of millions of people worldwide are affected by Chagas' disease caused by
Trypanosoma cruzi. Since the current treatment lack efficacy, specificity, and suffers from …

In this paper, we show how the adequate use of the intrinsic symmetry of a system when
setting up its model structure can avoid unwanted biases in the parameter optimization …

Aims To investigate the potential to degrade polycyclic aromatic hydrocarbons (PAHs) of yet‐
to‐be‐cultured bacterial populations from chronically polluted intertidal sediments. Methods …

Sesquiterpene lactones are a class of anti-inflammatory molecules obtained from plants
belonging to the Asteraceae family. In this study, the effects of 7-hydroxy frullanolide (7HF), a …

There are currently no antiviral agents for human metapneumovirus (HMPV), respiratory
syncytial virus (RSV), mumps virus (MuV), or measles virus (MeV). Favipiravir has been …