Non Covalent Interactions are key to Chemistry and Biology. They are responsible of an ample range of molecular processes, such as those involved in host-guest chemistry, solid state packing, protein folding or protein-drug recognition. We take advantage of computer models to understand and predict how molecules recognize each other, thus unravelling novel binding modes and interaction patterns between atoms.
Mission Statement
As a part of the Supramolecular Chemistry Group at the University of the Balearic Islands we are interested in exploring the physical nature and biological implications of NCIs involved in 1) the formation of supramolecular assemblies (e.g. protein-protein or protein-DNA complexes), 2) the structural and functional features of transition metal complexes (e.g. Zn dependent proteins) and 3) the stabilization of non-canonical nucleic acid structures.
Who we are?
From small theoretical models computed using ab initio and DFT techniques to large supramolecular assemblies studied by means of atomistic MD simulations. Now trying to stay in the middle ground learning QM/MM calculations…
ncilab.blog 