Importance of Anion−π Interactions in RNA GAAA and GGAG Tetraloops: A Combined MD and QM Study

R. Esmaeeli, MN. Piña, A. Frontera, A. Pérez, A. Bauzá

J. Chem. Theory Comput.

Charge Assisted S/Se Chalcogen Bonds in SAM Riboswitches: A Combined PDB and ab Initio Study

MN. Piña, A. Frontera, A. Bauzá

ACS Chem. Biol.

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

H. S. Biswal, A. K. Sahu, A. Frontera, A. Bauzá

J. Chem. Inf. Model.

Short X···N Halogen Bonds With Hexamethylenetetraamine as the Acceptor

G. Anyfanti, A. Bauzá, L. Gentiluomo, J. Rodrigues, G. Portalone, A. Frontera, K. Rissanen, R. Puttreddy

Front. Chem.

A homonuclear π-system with a singlet carbene-type α and a nucleophilic β phosphorus – the first use in P-heterocyclic synthesis

A. Schmer, D. Welideniya, T. Terschüren, G. Schnakenburg, J. Daniels, A. Bauzá, A. Frontera, R. Streubel

Dalton Trans.

Glutamate carboxypeptidase II as a model system for designing host–guest units: a theoretical approach

A. Frontera, A. Bauzá

OBC

Selenium chalcogen bonds are involved in protein–carbohydrate recognition: a combined PDB and theoretical study

JA. Fernández Riveras, A. Frontera, A. Bauzá

PCCP

Biological halogen bonds in protein–ligand complexes: a combined QTAIM and NCIPlot study in four representative cases

A. Frontera, A. Bauzá

OBC

Theoretical study of spodium bonding in the active site of three Zn-proteins and several model systems

R. Llull, G. Montalbán, I. Vidal, RM. Gomila, A. Bauzá, A. Frontera

PCCP

π-Hole spodium bonding in tri-coordinated Hg(ii) complexes

RM. Gomila, A. Bauzá, TJ. Mooibroek, A. Frontera

Dalton Trans.

Spodium bonding in five coordinated Zn(ii): a new player in crystal engineering?

RM. Gomila, A. Bauzá, TJ. Mooibroek, A. Frontera

CrystEngComm

Molecular 1,1′-bifunctional mixed-valence P–P compounds, enabled through metal complexation

A. Schmer, A. Bauzá, G. Schnakenburg, A. Frontera, R. Streubel

Dalton Trans.