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Statistical thermodynamics of liquids using the Monte Carlo method. I. Methodology.
(Soc Brasileira QuimicaSao PauloBrasil, 1999)
Statistical thermodynamics of liquids using the Monte Carlo method. II. Liquid chloroform.
(Soc Brasileira QuimicaSao PauloBrasil, 1999)
Free energy calculation using Monte Carlo simulation
(Soc Brasileira QuimicaSao PauloBrasil, 1996)
Free energies underlying ion binding and transport in protein channels: Free energy perturbation simulations of ion binding and selectivity for valinomycin
(Royal Soc Chemistry, 1991)
As a step to increasing the reliability of the calculation of free energies underlying ion binding and transport in protein channels, free energy perturbation simulations have been performed for the binding of alkali-metal ...
Free energy and hidden barriers of the β-sheet structure of Prion protein
(American Chemical Society, 2015-09-04)
On-the-fly free-energy parametrization is a new collective variable biasing approach akin to metadynamics with one important distinction: rather than acquiring an accelerated distribution via a history-dependent bias ...
Study of the energy consumption of a massive free-running building in the Argentinean northwest through monitoring and thermal simulation
(Elsevier Science, 2012-04)
The investigation presented in this paper has three main objectives. The first one is to study, through a case study, if it is possible to acceptably predict the energy consumption of a massive residential free-running ...
Free energy perturbation simulations of cation binding to valinomycin
(Kluwer Academic Publishers, 1992)
Experimental values of the free energies of cation binding to the cyclic depsipeptide molecule, valinomycin, obtained from Pedersen-type salt extraction measurements, provide data against which it is possible to test the ...
A heuristic perspective on non-variational Free Energy modulation at the sleep-like edge
(Elsevier, 2021-10)
Background: The variational Free Energy Principle (FEP) establishes that a neural system minimizes a free energy function of their internal state through environmental sensing entailing beliefs about hidden states in their ...