Tesi etd-06162020-163243 |
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Tipo di tesi
Tesi di laurea magistrale
Autore
CIGNONI, EDOARDO
URN
etd-06162020-163243
Titolo
Enhanced Sampling of Functional Conformations of a Minor Light Harvesting Complex in Higher Plants
Dipartimento
CHIMICA E CHIMICA INDUSTRIALE
Corso di studi
CHIMICA
Relatori
relatore Prof.ssa Mennucci, Benedetta
relatore Prof. Gervasio, Francesco Luigi
relatore Prof. Gervasio, Francesco Luigi
Parole chiave
- Molecular Dynamics (MD)
- Metadynamics
- Enhanced Sampling
- Electronic Energy Transfer (EET)
- Dimensionality Reduction
- CP29
- Nonphotochemical quenching (NPQ)
- Time-lagged Independent Component Analysis (tICA)
Data inizio appello
10/07/2020
Consultabilità
Non consultabile
Data di rilascio
10/07/2090
Riassunto
Nonphotochemical quenching (NPQ) of the absorbed light is pivotal for the survival of a plant. Within the Light Harvesting Complexes (LHC) of plants photosystems, NPQ occurs via a conformational change that switches the state of the LHCs from a light-harvesting to a quenching one. In this work, we have employed classical molecular dynamics (MD) simulations of a minor LHC (CP29) embedded in a membrane to investigate the relation between protein dynamics and quenching. Enhanced sampling techniques have been employed to efficiently explore the phase-space of the system.
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