ETD system

Electronic theses and dissertations repository

 

Tesi etd-06162020-163243


Thesis type
Tesi di laurea magistrale
Author
CIGNONI, EDOARDO
URN
etd-06162020-163243
Title
Enhanced Sampling of Functional Conformations of a Minor Light Harvesting Complex in Higher Plants
Struttura
CHIMICA E CHIMICA INDUSTRIALE
Corso di studi
CHIMICA
Supervisors
relatore Prof.ssa Mennucci, Benedetta
relatore Prof. Gervasio, Francesco Luigi
Parole chiave
  • Molecular Dynamics (MD)
  • Enhanced Sampling
  • Time-lagged Independent Component Analysis (tICA)
  • Dimensionality Reduction
  • Electronic Energy Transfer (EET)
  • Metadynamics
  • Nonphotochemical quenching (NPQ)
  • CP29
Data inizio appello
10/07/2020;
Consultabilità
Parziale
Data di rilascio
10/07/2023
Riassunto analitico
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.
File