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Journal of chemical theory and computation, 13 (2017) 11, S. 5647–5657
...Theory, modelling and simulation...
OpenAccess  OpenAccess 
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Archives of biochemistry and biophysics, 582 (2015) S. 91–100
...Theory, modelling and simulation...
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Journal of inorganic biochemistry, 153 (2015) S. 231 - 238
...Theory, modelling and simulation...