The occurrence of contaminants in natural waters is a potential threat to the environment.
Since contaminants are commonly present as mixtures, numerous interactions may occur …

The increasing interest in bioactive peptides with therapeutic potentials has been reflected
in a large variety of biological databases published over the last years. However, the …

Augmented Zagreb Index: Extremal Results and Bounds Page 1 Augmented Zagreb Index:
Extremal Results and Bounds Akbar Ali1,2, Boris Furtula3, Ivan Gutman3, Damir Vukicevic4 …

The parasite species of genus Plasmodium causes Malaria, which remains a major global
health problem due to parasite resistance to available Antimalarial drugs and increasing …

In this paper, we present a new approach that explores the application of graph energy
variants in chemistry, specifically in the development of platinum anticancer drugs. While …

Trypanosomatid-caused diseases are among the neglected infectious diseases with the
highest disease burden, affecting about 27 million people worldwide and, in particular, socio …

We present a novel Java‐based program denominated PeptiDesCalculator for computing
peptide descriptors. These descriptors include: redefinitions of known protein parameters to …

A useful QSAR model was developed to predict the antichagas activity for 760 fenarimol
analogues obtained from the ChEMBL database, which are considered as very active and …

The first and second Zagreb indices are the molecular descriptors that were appeared within
a study of molecular modeling more than four decades ago. The coindex versions of these …

Ubiquitin–proteasome system (UPS) is a highly regulated mechanism of intracellular protein
degradation and turnover. The UPS is involved in different biological activities, such as the …