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Hybrid Particle-Field Approach Including Electrostatics for Large-Scale Simulations of Biological Systems

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Hybrid Particle-Field Molecular Dynamics Simulations of Charged Amphiphiles in an Aqueous Environment

Author(s): Hima Bindu Kolli, Antonio de Nicola, Sigbjørn Løland Bore, Ken Schäfer, Gregor Diezemann, Jürgen Gauss, Toshihiro Kawakatsu, Zhong-Yuan Lu, You-Liang Zhu, Giuseppe Milano, Michele Cascella
Published in: Journal of Chemical Theory and Computation, Issue 14/9, 2018, Page(s) 4928-4937, ISSN 1549-9618
DOI: 10.1021/acs.jctc.8b00466

Self-Assembly of α-Tocopherol Transfer Protein Nanoparticles: A Patchy Protein Model

Author(s): Raphael Mathias Peltzer, Hima Bindu Kolli, Achim Stocker, Michele Cascella
Published in: The Journal of Physical Chemistry B, Issue 122/28, 2018, Page(s) 7066-7072, ISSN 1520-6106
DOI: 10.1021/acs.jpcb.8b05936