A General Boundary Potential for Hybrid QM/MM Simulations of Solvated 
Biomolecular Systems

Benighaus, T.; Thiel, W.

doi:10.1021/ct900437b

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A General Boundary Potential for Hybrid QM/MM Simulations of Solvated Biomolecular Systems

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Benighaus, T.
Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society;
Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society;

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Thiel, W.
Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society;
Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society;

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Benighaus, T., & Thiel, W. (2009). A General Boundary Potential for Hybrid QM/MM Simulations of Solvated Biomolecular Systems. Journal of Chemical Theory and Computation, 5, 3114-3128. doi:10.1021/ct900437b.

Cite as: https://hdl.handle.net/11858/00-001M-0000-000F-8E6F-2

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