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Regularizing binding energy distributions and thermodynamics of hydration. Application to water modeled with classical and ab initio simulations
potential distribution theorem hydration free energy hybrid Monte Carlo vapor-liquid equilibrium
2011/8/5
Abstract: The high-energy tail of the distribution of solute-solvent interaction energies is poorly characterized for condensed systems, but this tail region is of principal interest in determining th...
Computing fluxes and chemical potential distributions in biochemical networks: energy balance analysis of the human red blood cell
Metabolioc networks energy balance analysis thermodynamic efficiency
2011/8/16
Abstract: The analysis of non-equilibrium steady states of biochemical reaction networks relies on finding the configurations of fluxes and chemical potentials satisfying stoichiometric (mass balance)...
Ubiquity of log-normal distributions in intra-cellular reaction dynamics
log-normal distribution fluctuation recursive growth
2010/12/2
The discovery of two fundamental laws concerning cellular dynamics with recursive growth is reported. Firstly, the chemical abundances measured over many cells were found to obey a log-normal distribu...