Dynamic Protonation of Biomolecules in Molecular Simulation
نویسندگان
چکیده
منابع مشابه
Dynamic Protonation of Titratable Groups in Biomolecules for Molecular Dynamics Simulations
Properties of biomolecules are often investigated using Molecular Dynamics (MD) simulations whereby atoms and molecules interact for a period of time, thus revealing the time dependent behavior of the system. Whereas the atom positions of the starting structures for such MD runs are usually derived from X-ray crystallography or NMR experiments, properties such as charges or bonds are specified ...
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ژورنال
عنوان ژورنال: Biophysical Journal
سال: 2012
ISSN: 0006-3495
DOI: 10.1016/j.bpj.2011.11.914