Efficient calculation of fully resolved electrostatics around large biomolecules

Autor: Chowdhury, Rochishnu, Egan, Raphael, Bochkov, Daniil, Gibou, Frederic

Publikováno v: In Journal of Computational Physics 1 January 2022 448

Molecular imaging with aquaporin-based reporter genes: quantitative considerations from Monte Carlo diffusion simulations.

Autor: Chowdhury R; Department of Mechanical Engineering, University of California, Santa Barbara, CA 93106, USA., Wan J; Department of Chemistry, University of California, Santa Barbara, CA 93106, USA., Gardier R; Signal Processing Laboratory (LTS5), Ecole Polytechnique Fédérale de Lausanne (EPFL), Lausanne, Switzerland., Rafael-Patino J; Signal Processing Laboratory (LTS5), Ecole Polytechnique Fédérale de Lausanne (EPFL), Lausanne, Switzerland.; Radiology Department, Centre Hospitalier Universitaire Vaudois (CHUV) and University of Lausanne (UNIL), Lausanne, Switzerland., Thiran JP; Signal Processing Laboratory (LTS5), Ecole Polytechnique Fédérale de Lausanne (EPFL), Lausanne, Switzerland.; Radiology Department, Centre Hospitalier Universitaire Vaudois (CHUV) and University of Lausanne (UNIL), Lausanne, Switzerland., Gibou F; Department of Mechanical Engineering, University of California, Santa Barbara, CA 93106, USA.; Department of Computer Science, University of California, Santa Barbara, CA 93106, USA., Mukherjee A; Department of Chemistry, University of California, Santa Barbara, CA 93106, USA.; Department of Chemical Engineering, University of California, Santa Barbara, CA 93106, USA.; Biomolecular Science and Engineering, University of California, Santa Barbara, CA 93106, USA.; Biological Engineering, University of California, Santa Barbara, CA 93106, USA.; Neuroscience Research Institute, University of California, Santa Barbara, CA 93106, USA.

Publikováno v: BioRxiv : the preprint server for biology [bioRxiv] 2023 Jun 11. Date of Electronic Publication: 2023 Jun 11.