Introduction 1965 2003 1991 1968 1968 1998 2001 1998 2001 1998 2001 2001 1996 2000 2002 2004 2002 1996 1998 1998 1969 1968 1995 2000 2005a b 1995 2005a b 2004 2005 1999 1996 1996 2000 2005a b 1995 2004 2005 2001 1996 2000 2002 2004 2002 l 2004 2002 l Computational methodology l 1 1981 1982 1982 2000 1 1 1 a b c 2 2004 1996 1994 1994 Fig. 1 l CH n  Fig. 2 z b a  a b c 2 z −1 −2 1990 1996 1990 1996 2001 1995 http://www.gromacs.org 1996 Results and discussions 2 2 z 2004 2005 2005 3 z 3 Fig. 3 a z b  4 4 1997 1998 1998 4 Fig. 4 a b  D D d 1 \documentclass[12pt]{minimal}
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$$ D = {\mathop {\lim }\limits_{{\Updelta} t \to \infty}
}\frac{{{\left\langle {{\left| {{\Updelta}
\ifmmode\expandafter\bar\else\expandafter\=\fi{r}} \right|}^{2} }
\right\rangle }_{{t_{0} }} }} {{2d{\Updelta t}}} $$\end{document} \documentclass[12pt]{minimal}
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\begin{document}$$ {\left\langle {{\left| {{\Updelta} \overline{r} } \right|}^{2} } \right\rangle }_{{t_{0} }} $$\end{document} t d t 0 D t 1996 z 3 5 z z xy D Fig. 5 a z 2 b  4 5 t z −13 2 −1 2004 −13 2 −1 2000 2005a b 1995 2000 −14 2 −1 2005a b −13 2 −1 −10 2 −1 1981 2007 1989 2005 Despite its simplicity and obvious limitations, this computational study provides insight into the main features of solute transport in protein crystals. Our study allows relating transport properties of the nanopores in protein crystals to solvent and ion motion as well as to protein fluctuations. Although our findings are in good qualitative and quantitative agreement with existing experimental data, more experimental studies are still needed by which we can compare our data directly. These results in combination with experimental information provide vital insights for understanding biocatalytic and chiral separation processes in CLPC. Conclusion l