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Molecular Simulation Volume 45, 2019 - Issue 14-15: Recent advances in molecular simulation

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Recent advances in maximum entropy biasing techniques for molecular dynamics

D. B. AmirkulovaDepartment of Chemical Engineering, University of Rochester, Rochester, NY, USAView further author information

A. D. WhiteDepartment of Chemical Engineering, University of Rochester, Rochester, NY, USACorrespondence[email protected]
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Pages 1285-1294 | Received 22 Jan 2019, Accepted 09 Apr 2019, Published online: 02 May 2019

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https://doi.org/10.1080/08927022.2019.1608988
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Clemens Kauffmann, Anna Zawadzka‐Kazimierczuk, Georg Kontaxis & Robert Konrat. (2020) Using Cross‐Correlated Spin Relaxation to Characterize Backbone Dihedral Angle Distributions of Flexible Protein Segments. ChemPhysChem 22:1, pages 18-28.
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Bradley W. Treece, Frank Heinrich, Arvind Ramanathan & Mathias Lösche. (2020) Steering Molecular Dynamics Simulations of Membrane-Associated Proteins with Neutron Reflection Results. Journal of Chemical Theory and Computation 16:5, pages 3408-3419.
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