Research Areas

Impact of non-classical interactions in biological systems

Studying the impact of these recently proposed non-classical interactions in a biological context is based on the assessment for their strength, structural features, and plausible biological role. The information retrieved can be useful for those scientists devoted to force field parametrization, rational drug design as well as enzyme chemistry.

Key Papers

Regium−π Bonds Are Involved in Protein–Gold Binding

MN. Piña, A. Frontera, A. Bauzá

J. Phys. Chem. (2020)

Halogen Bonds in Protein Nucleic Acid Recognition

A. Frontera, A. Bauzá

J. Chem. Theory Comput. (2020)

Spodium Bonds in Biological Systems: Expanding the Role of Zn in Protein Structure and Function

HS. Biswal, A. Kumar Sahu, A. Frontera, A. Bauzá

J. Chem. Inf. Model. (2021)