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Michele Cascella

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Michele Cascella

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Structural insights on cholesterol endosynthesis: Binding of squalene and 2,3-oxidosqualene to supernatant protein factor

Anthanthrene dye-sensitized solar cells: influence of the number of anchoring groups and substitution motif

A quinoxaline-fused tetrathiafulvalene-based sensitizer for efficient dye-sensitized solar cells

Electrostatic-Consistent Coarse-Grained Potentials for Molecular Simulations of Proteins

Subtle differences in virus composition affect disinfection kinetics and mechanisms

UV radiation induces genome-mediated, site-specific cleavage in viral protein

Characterization of Molecular Determinants of the Conformational Stability of Macrophage Migration Inhibitory Factor: Leucine 46 Hydrophobic Pocket

A nonradial coarse-grained potential for proteins produces naturally stable secondary structure elements

Low inhibiting power of N...CO based peptidomimetic compounds against HIV protease: Insights from a hybrid QM/MM study

Challenges and perspectives in biomolecular simulations: from atomistic picture to multiscale modeling