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      Charged nanorods at heterogeneously charged surfaces

      1 , 1 , 2 , 3 , 1 , 4 , 5 , 6

      The Journal of Chemical Physics

      AIP Publishing

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          Electrostatics of nanosystems: application to microtubules and the ribosome.

          Evaluation of the electrostatic properties of biomolecules has become a standard practice in molecular biophysics. Foremost among the models used to elucidate the electrostatic potential is the Poisson-Boltzmann equation; however, existing methods for solving this equation have limited the scope of accurate electrostatic calculations to relatively small biomolecular systems. Here we present the application of numerical methods to enable the trivially parallel solution of the Poisson-Boltzmann equation for supramolecular structures that are orders of magnitude larger in size. As a demonstration of this methodology, electrostatic potentials have been calculated for large microtubule and ribosome structures. The results point to the likely role of electrostatics in a variety of activities of these structures.
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            Principles of condensed matter physics

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              ESPResSo—an extensible simulation package for research on soft matter systems

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                Author and article information

                Journal
                The Journal of Chemical Physics
                The Journal of Chemical Physics
                AIP Publishing
                0021-9606
                1089-7690
                October 07 2018
                October 07 2018
                : 149
                : 13
                : 134702
                Affiliations
                [1 ]School of Physics, Institute for Research in Fundamental Sciences (IPM), P.O. Box 19395-5531, Tehran, Iran
                [2 ]Department of Physics, Sharif University of Technology, P.O. Box 11155-9161, Tehran, Iran
                [3 ]Department of Physics, University of California, Santa Barbara, California 93106, USA
                [4 ]School of Physical Sciences and Kavli Institute for Theoretical Sciences, University of Chinese Academy of Sciences, Beijing 100049, China
                [5 ]CAS Key Laboratory of Soft Matter Physics, Institute of Physics, Chinese Academy of Sciences (CAS), Beijing 100190, China
                [6 ]Department of Physics, Faculty of Mathematics and Physics, University of Ljubljana, Ljubljana, Slovenia and Department of Theoretical Physics, J. Stefan Institute, 1000 Ljubljana, Slovenia
                Article
                10.1063/1.5044391
                © 2018
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