Essential roles in biological systems depend on protein-ligand recognition, which is mostly
driven by specific non-covalent interactions. Consequently, investigating these interactions …

In this study, we carried out a comparative analysis between two classical methodologies to
prospect residue contacts in proteins: the traditional cutoff dependent (CD) approach and …

We describe a suite of SPACE tools for analysis and prediction of structures of biomolecules
and their complexes. LPC/CSU software provides a common definition of inter-atomic …

Sphingomyelinases D (SMases D) or dermonecrotic toxins are well characterized in
Loxosceles spider venoms and have been described in some strains of pathogenic …

The exact residues within severe acute respiratory syndrome coronavirus (SARS-CoV) S1
protein and its receptor, human ACE2, involved in their interaction still remain largely …

Evolutionarily related proteins can present similar structures but very dissimilar sequences.
Hence, understanding the role of the inter-residues contacts for the protein structure has …

Neutrophil extracellular traps (NETs) were first reported as a microbicidal strategy for
activated neutrophils. Through an immunologic response against several stimuli, neutrophils …

An essential step in understanding the molecular basis of protein–protein interactions is the
accurate identification of inter-protein contacts. We evaluate a number of common methods …

Allosteric regulation plays a crucial role in modulating protein functions and represents a
promising strategy in drug development, offering enhanced specificity and reduced toxicity …

Proteins are macromolecules that have a high molecular weight, and make up, along with
water, most of the composition of cells. The functions they perform are extremely important …