A carregar...
Publicação
Dynamics of the Davydov-Scott monomer in a thermal bath: Comparison of the full quantum and semiclassical approaches
| Nome: | Descrição: | Tamanho: | Formato: | |
|---|---|---|---|---|
| 1011.88 KB | Adobe PDF |
Orientador(es)
Resumo(s)
The quantum state diffusion equation is applied to the problem of energy transfer in proteins. Lindblad operators, capable of coupling the full quantum Davydov-Scott monomer to a thermal bath, are derived. Numerical simulations with the QSD equation show that the Lindblad operators derived do recreate the exact equilibrium ensemble for the Davydov-Scott monomer. Comparison of the results obtained with the full quantum and with the semiclassical systems shows that, at biological temperatures, the latter provides a good approximation of the former.
Descrição
Palavras-chave
Amide-I Band Polaron motion Monte-Carlo Model Proteins Solitons Bioenergetics Contraction Oscillator Resonance
Contexto Educativo
Citação
Editora
American Physical Society