Searching for authors named "Regis Pomes" – sorted by Relevance.

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3 documents found, showing 1 through 3.

Molecular mechanism of H + conduction in the single-file water chain of the Gramicidin channel, Biophys
by Régis Pomès, Benoît Roux — 2002 — J
…ABSTRACT The conduction of protons in the hydrogen-bonded chain of water molecules (or “proton wire”) embedded in the lumen of gramicidin A is studied with molecular dynamics free energy simulations. The process may be described as a “hop-and-turn ” or Grotthuss mechanism involving the chemical exch…
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Thermodynamic stability of water molecules in the bacteriorhodopsin proton channel: a molecular dynamics free energy perturbation study
by Mafalda Nina, Regis Pomes, Jeremy C. Smith — 1996 — Biophys J
…ABSTRACT The proton transfer activity of the light-driven proton pump, bacteriorhodopsin (bR) in the photochemical cycle might imply internal water molecules. The free energy of inserting water molecules in specific sites along the bR transmembrane channel has been calculated using molecular dynamic…
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A scalable fpga-based multiprocessor
by Arun Patel, Christopher A. Madill, Manuel Saldaña, Christopher Comis, Régis Pomès, Paul Chow — 2006 — In Proceedings of the 13th Annual IEEE Symposium on FieldProgrammable Custom Computing Machines
…It has been shown that a small number of FPGAs can significantly accelerate certain computing tasks by up to two or three orders of magnitude. However, particularly intensive large-scale computing applications, such as molecular dynamics simulations of biological systems, underscore the need for eve…
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