Irregular applications can be found in different scientific fields. In computer-aided drug
design, molecular docking simulations play an important role in finding promising drug …

Virtual screening is a key enabler of computational drug discovery and requires accurate
and efficient structure-based molecular docking. In this work, we develop algorithms and …

The rapid increase in the number of IoT (Internet of Things) devices and the consequent
surge in data transmission pose significant challenges to real-time data processing and …

This network-based pharmacology study intends to uncover the underlying mechanisms of
cannabis leading to a therapeutic benefit and the pathogenesis for a wide range of diseases …

Molecular Docking (MD) is a key tool in computer-aided drug design that aims to predict the
binding pose between a small molecule and a macromolecular target. At its core, MD …

Uvod: Funkcionalizacijom karboksilne grupe naproksena u tioureidnu grupu primenom
sterno voluminoznih i lipofilnih aromatičnih amina i estara aromatičnih aminokiselina mogu …

The various clustering methods are widely applied in analyzing biological interaction
networks, such as the protein–protein interaction and the genetic interaction networks. With …

El modelado es la disciplina que permite analizar y simular el comportamiento de un
determinado sistema mediante una representación numérica de sus propiedades. Entre sus …