Equilibrium and nonequilibrium foundations of free energy computational methods
نویسنده
چکیده
Statistical mechanics provides a rigorous framework for the numerical estimation of free energy di erences in complex systems such as biomolecules. This paper presents a brief review of the statistical mechanical identities underlying a number of techniques for computing free energy di erences. Both equilibrium and nonequilibrium methods are covered.
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تاریخ انتشار 2001