ETD

Archivio digitale delle tesi discusse presso l’Università di Pisa

Tesi etd-06162020-163243

Tipo di tesi

Tesi di laurea magistrale

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

Parole chiave

CP29
Dimensionality Reduction
Electronic Energy Transfer (EET)
Enhanced Sampling
Metadynamics
Molecular Dynamics (MD)
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 (Inglese)

Riassunto (Italiano)

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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