Interpretation of structural properties and dynamic behavior of molecules in solution is of
fundamental importance to understand their stability, chemical reactivity, and catalytic action …

We review work on the paramagnetic amino acid 2, 2, 6, 6-tetramethyl-N-oxyl-4-amino-4-
carboxylic acid, TOAC, and its applications in studies of peptides and peptide synthesis …

Protein dynamics by NMR has been reviewed extensively in recent years [1–10]. These
surveys show decisively that information on structure should be complemented by …

Abstract The role of Virtual Reality (VR) tools in molecular sciences is analyzed in this
contribution through the presentation of the Caffeine software to the quantum chemistry …

Oligomers that contain both α-and β-amino acid residues in a 1: 1 alternating pattern have
recently been shown by several groups to adopt helical secondary structures in solution …

The popular AMBER force-field has been extended to provide an accurate description of
large and flexible nitroxide free-radicals in condensed phases. New atom types have been …

We present here the results of a CW-ESR investigation of a double spin labeled α-
cyclodextrin-based [2] rotaxane that is characterized by the presence of nitroxide labels both …

Calculations on a large set of free radicals containing atoms of the second and third row
show that the computational model defined by the new N07D basis set and hybrid density …

The synthesis of a collection of enantiomerically pure, systematically substituted hydantoins
as structural privileged universal mimetic scaffolds is presented. It relies on a …

Essential details of two techniques for distance measurements between non-identical spin
labels are summarized. One technique is based on double electron–electron resonance …