QM/MM calculation of absorption spectra of complex systems: The case of human serum albumin

Thibaud Etienne (1, 2) , Xavier Assfeld (2) , Antonio Monari (2)

1 UCPTS - Unité de Chimie Physique Théorique et Structurale
2 SRSMC - Structure et Réactivité des Systèmes Moléculaires Complexes

Domaines: Chimie

Thibaud Etienne, Xavier Assfeld, Antonio Monari. QM/MM calculation of absorption spectra of complex systems: The case of human serum albumin. Computational and Theoretical Chemistry, 2014, 1040-1041, pp.360 - 366. ⟨10.1016/j.comptc.2014.01.009⟩. ⟨hal-01913550⟩