Molecular dynamics simulations with electronic degrees of freedom. Does the protein essential motions influence the absorption spectra of a chromophore ?

Riccardo Spezia (1) , Massimiliano Aschi (2) , Alfredo Di Nola (1) , Andrea Amadei (3)

1 Dipartimento di Chimica
2 Dipartimento di Chimica, Ingegneria Chimica e Materiali
3 Dipartimento di Scienze e Tecnologie Chimiche

Domaines: Chimie-Physique [physics.chem-ph]

Riccardo Spezia, Massimiliano Aschi, Alfredo Di Nola, Andrea Amadei. Molecular dynamics simulations with electronic degrees of freedom. Does the protein essential motions influence the absorption spectra of a chromophore ?. The Italian Journal of biochemistry., 2002, 5, pp.5.01. ⟨hal-00138900⟩