scholarly journals Molecular dynamics simulations reveal highly permeable oxygen exit channels shared with water uptake channels in photosystem II

2013 ◽  
Vol 1827 (10) ◽  
pp. 1148-1155 ◽  
Author(s):  
Serguei Vassiliev ◽  
Tatiana Zaraiskaya ◽  
Doug Bruce
Keyword(s):  
Molecular Dynamics ◽  
Photosystem Ii ◽  
Molecular Dynamics Simulations ◽  
Water Uptake ◽  
Dynamics Simulations

The plastoquinol–plastoquinone exchange mechanism in photosystem II: insight from molecular dynamics simulations

2016 ◽  
Vol 131 (1) ◽  
pp. 15-30 ◽  
Author(s):  
Veranika Zobnina ◽  
Maya D. Lambreva ◽  
Giuseppina Rea ◽  
Gaetano Campi ◽  
Amina Antonacci ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Photosystem Ii ◽  
Molecular Dynamics Simulations ◽  
Exchange Mechanism ◽  
Dynamics Simulations

scholarly journals Towards an ab initio description of the optical spectra of light-harvesting antennae: application to the CP29 complex of photosystem II

2015 ◽  
Vol 17 (22) ◽  
pp. 14405-14416 ◽  
Author(s):  
Sandro Jurinovich ◽  
Lucas Viani ◽  
Ingrid G. Prandi ◽  
Thomas Renger ◽  
Benedetta Mennucci
Keyword(s):  
Molecular Dynamics ◽  
Photosystem Ii ◽  
Ab Initio ◽  
Molecular Dynamics Simulations ◽  
Light Harvesting ◽  
Optical Spectra ◽  
Light Harvesting Complex ◽  
Dynamics Simulations

Only going beyond the static crystal picture through molecular dynamics simulations can a realistic excitonic picture of the light-harvesting complex CP29 be obtained using a multiscale polarizable QM/MM approach.

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