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Solvent structure
Mattos, C. and Ringe, D.  International Tables for Crystallography (2012). Vol. F, ch. 23.5, pp. 800-820 [ doi:10.1107/97809553602060000894 ]
... this chapter, its essential role has been recently reviewed elsewhere (Mattos & Clark, 2008). It is important to understand protein three ... et al., 1994), and drug design (Poormina & Dean, 1995a,b,c). One of the challenges now is to translate the ... stereo around: (a) main-chain O, (b) main-chain N, (c) Ser OG, (d) Tyr ring, (e) Asp OD1 and ...

Summary
Mattos, C. and Ringe, D.  International Tables for Crystallography (2012). Vol. F, Section 23.5.6.4, p. 817 [ doi:10.1107/97809553602060000894 ]
Summary 23.5.6.4. Summary The few examples illustrated above provide diverse views of the ways in which Nature can use water molecules as integral parts of macromolecular interactions. Water molecules can be involved in specificity and recognition, in thermodynamics of binding and affinity, in the cooperative behaviour of allosteric proteins, and in ...
     [more results from section 23.5.6 in volume F]

Summary
Mattos, C. and Ringe, D.  International Tables for Crystallography (2012). Vol. F, Section 23.5.5.3, p. 815 [ doi:10.1107/97809553602060000894 ]
Summary 23.5.5.3. Summary In general, small proteins serve as important models through which more precise details of protein-water interactions can be obtained due to the very high resolution to which their structures can be solved. With respect to understanding solvent structure, the two major contributions of these very high resolution ...
     [more results from section 23.5.5 in volume F]

Summary
Mattos, C. and Ringe, D.  International Tables for Crystallography (2012). Vol. F, Section 23.5.4.3, p. 814 [ doi:10.1107/97809553602060000894 ]
... waters are those classified as surface or crystal-contact waters (Mattos et al., 2006). In the three cases where a ... contact when all ten crystal forms are taken together. References Mattos, C., Bellamacina, C., Peisach, E., Pereira, A., Vitkup, D., Petsko, ...
     [more results from section 23.5.4 in volume F]

Water mediation of protein-ligand interactions
Mattos, C. and Ringe, D.  International Tables for Crystallography (2012). Vol. F, Section 23.5.3.4, pp. 807-808 [ doi:10.1107/97809553602060000894 ]
... R factor of at least 23% (Poormina & Dean, 1995a,b,c). The studies focus on hydrogen-bonding features of water ... that in Fig. 23.5.3.5(b) occurring very rarely. Fig. 23.5.3.5(c) shows the situation where water molecules are found to interact ... the water molecule is larger than the protein surface area; (c) water molecules bound in shallow grooves at the protein- ...
     [more results from section 23.5.3 in volume F]

Determination of water molecules
Mattos, C. and Ringe, D.  International Tables for Crystallography (2012). Vol. F, Section 23.5.2, pp. 801-802 [ doi:10.1107/97809553602060000894 ]
... in liquid water. J. Phys. Chem. 101, 7821-7826. Brooks, C. L. & Karplus, M. (1989). Solvent effects on protein motion ... J. Mol. Biol. 243, 100-115. Karplus, P. A. & Faerman, C. (1994). Ordered water in macromolecular structure. Curr. Opin. Struct. ... 19-39. Roux, B., Nina, M., Pomes, R. & Smith, J. C. (1996). Thermodynamic stability of water molecules in the ...

Introduction
Mattos, C. and Ringe, D.  International Tables for Crystallography (2012). Vol. F, Section 23.5.1, pp. 800-801 [ doi:10.1107/97809553602060000894 ]
... this chapter, its essential role has been recently reviewed elsewhere (Mattos & Clark, 2008). It is important to understand protein three ... et al., 1994), and drug design (Poormina & Dean, 1995a,b,c). One of the challenges now is to translate the ... in the structural integrity and biological function of macromolecules. References Mattos, C. & Clark, A. C. (2008). Minimizing frustration by ...

Conclusions and future perspectives
Mattos, C. and Ringe, D.  International Tables for Crystallography (2012). Vol. F, Section 23.5.7, pp. 817-818 [ doi:10.1107/97809553602060000894 ]
... process still in its infancy. References Allen, K. N., Bellamacina, C. R., Ding, X., Jeffery, C. J., Mattos, C., Petsko, G. A. & Ringe, D. (1996). An ...

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