Convergence and Sampling in Determining Free Energy Landscapes for Membrane Protein Association
نویسندگان
چکیده
منابع مشابه
Convergence and Sampling in Determining Free Energy Landscapes for Membrane Protein Association
Potential of mean force (PMF) calculations are used to characterize the free energy landscape of protein-lipid and protein-protein association within membranes. Coarse-grained simulations allow binding free energies to be determined with reasonable statistical error. This accuracy relies on defining a good collective variable to describe the binding and unbinding transitions, and upon criteria ...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry B
سال: 2016
ISSN: 1520-6106,1520-5207
DOI: 10.1021/acs.jpcb.6b08445