Xavier Periole

TL;DR: The derivation of molecular mechanics parameters for the cofactors associated with the function of the photosystem II core complex: plastoquinone, plastOquinol, heme b, chlorophyll A, pheophytin, and β-carotene are described.

TL;DR: It is shown that incorporation of bolalipids makes the membrane more tolerant toward butanol, and this study may help in designing artificial membranes, with tunable properties, able to function under extreme conditions.

TL;DR: A coarse grained model of PS II is introduced and the analysis of 60 μs molecular dynamics simulations of PSII in both monomeric and dimeric form, embedded in a thylakoid membrane model that reflects its native lipid composition.

TL;DR: Periole et al. as mentioned in this paper derived two-body cation−water interaction potentials for several cations, Li+, Na+, K+, Be2+, Mg2+, and Ca2+, using two facts: water molecules in the close vicinity of cations are strongly structured and present a constrained orientation towards the ion; and at larger distances the ion-water interaction is mainly electrostatic.

TL;DR: The pK(a) values of the titratable amino acid residues in rhodopsin have been calculated and the change in solvent around E134 was modeled by shifting the position of the lipid/water interface, showing that the protonation state of E134 is particularly sensitive to its environment.