The application of computational approaches in drug discovery has been consolidated in
the last decades. These families of techniques are usually grouped under the common …

Protein phosphorylation is an important post‐transcriptional modification involving an
extremely wide range of intracellular signaling transduction pathways, making it an …

Among the different hallmarks of cancer, deregulation of cellular metabolism turned out to be
an essential mechanism in promoting cancer resistance and progression. The pyruvate …

Pancreatic ductal adenocarcinoma (PDAC) is one of the main aggressive types of cancer,
characterized by late prognosis and drug resistance. Among the main factors sustaining …

In the last 20 years, fragment-based drug discovery (FBDD) has become a popular and
consolidated approach within the drug discovery pipeline, due to its ability to bring several …

In the latest few decades, molecular docking has imposed itself as one of the most used
approaches for computational drug discovery. Several docking benchmarks have been …

In silico approaches have acquired a towering role in pharmaceutical research and
development, allowing laboratories all around the world to design, create, and optimize …

Ribonucleic acid (RNA) plays a key regulatory role within the cell, cooperating with proteins
to control the genome expression and several biological processes. Due to its characteristic …

The prediction of ligand efficacy has long been linked to thermodynamic properties such as
the equilibrium dissociation constant, which considers both the association and the …

The Food and Drug Administration (FDA) has approved MAPK inhibitors as a treatment for
melanoma patients carrying a mutation in codon V600 of the BRAF gene exclusively …