6 citations · 12 across the 8 of their papers we have counts for
8 papers
IYPt is a highly polar, nonlinear triatomic molecule
Fabio Pichierri
An explorative quantum chemical study of the triatomic molecule IYPt, its isomers, group 17 congeners, and dimer is carried out. The results indicate that IYPt is a ground-state si…
Giulio Fermi's contributions to biophysics and molecular biology
Fabio Pichierri
This paper presents a comprehensive list of the scientific articles of Giulio Fermi (1936-1997), son of the Italian-American physicist Enrico Fermi, published between 1962 and 1997…
Protein conformational dynamics and electronic structure
Fabio Pichierri
Quantum mechanical calculations are performed on 116 conformers of the protein ubiquitin (Lange et al., Science 2008, 320, 1471-1475). The results indicate that the heat of formati…
Dipole-dipole interactions in protein-protein complexes: a quantum mechanical study of the ubiquitin-Dsk2 complex
Fabio Pichierri
Quantum mechanical calculations are performed on the proteins that constitute the ubiquitin-Dsk2 complex whose atomic structure has been experimentally determined by NMR spectrosco…
Quantum Proteomics
Fabio Pichierri
We put forward the idea of establishing a novel interdisciplinary field of research at the interface between quantum mechanics and proteomics. The new field, called quantum proteom…
A quantum mechanical analysis of the light-harvesting complex 2 from purple photosynthetic bacteria. Insights into the electrostatic effects of transmembrane helices
Fabio Pichierri
We perform a quantum mechanical study of the peptides that are part of the LH2 complex from Rhodopseudomonas acidophila, a non-sulfur purple bacteria that has the ability of produc…
The electronic structure and dipole moment of charybdotoxin, a scorpion venom peptide with K+ channel blocking activity
Fabio Pichierri
The electronic structure of charybdotoxin (ChTX), a scorpion venom peptide that is known to act as a potassium channel blocker, is investigated with the aid of quantum mechanical c…
Macrodipoles of potassium and chloride ion channels as revealed by electronic structure calculations
Fabio Pichierri
With the aid of quantum mechanical calculations we investigate the electronic structure of the full length (FL) potassium channel protein, FL-KcsA, in its closed conformation, and…