Understanding Life with Molecular Dynamics and Thermodynamics: Comment on Nature 451, 240-243 (2008)

Details Understanding Life with Molecular Dynamics and Thermodynamics: Comment on Nature 451, 240-243 (2008) Understanding Life with Molecular Dynamics and Thermodynamics: Comment on Nature 451, 240-243 (2008)

2008-02-15

arxiv.org/abs/0802.2244v2

Biology

Quantitative Biology

Biomolecules

Comment on Nature 451, 240-243 (2008)

Scientific paper

One of the important challenges facing high resolution molecular dynamics calculations is to reproduce biological functions that occur in the macroscopic world and involve macroscopic variables. Some of these functions can be well described by reduced models, with few parameters, over a wide range of conditions, even though the functions are complex. We are all eager to see how molecular dynamics will accurately estimate the thermodynamic variables that define and control so many macroscopic biological functions.

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