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 Results for DC.creator="K." AND DC.creator="A." AND DC.creator="Sharp" in section 22.4.3 of volume F
Electrostatic contributions to binding energy
Sharp, K. A.  International Tables for Crystallography (2012). Vol. F, Section 22.4.3.3, p. 734 [ doi:10.1107/97809553602060000888 ]
... first and second sums are over all charges in molecule A and B, respectively, and is the total potential produced by x = A, B, or AB. From equation (22.4.3.5), it should be noted ... may be used for the complexed and uncomplexed forms of A, and similarly for B. However, other energetic terms, including ...

Charge-transfer equilibria
Sharp, K. A.  International Tables for Crystallography (2012). Vol. F, Section 22.4.3.2, pp. 733-734 [ doi:10.1107/97809553602060000888 ]
... transfer and ion binding, in which the transferred species is a proton, an electron or a salt ion, respectively. The theory of the dependence of these ... identical manner, and will be illustrated with acid-base equilibria. A titratable group will have an intrinsic ionization equilibrium, expressed ...

Electrostatic potential distributions
Sharp, K. A.  International Tables for Crystallography (2012). Vol. F, Section 22.4.3.1, pp. 732-733 [ doi:10.1107/97809553602060000888 ]
... complement analysis of the atomic coordinates. For example, Fig. 22.4.3.1(a) shows the distribution of charged residues in the binding site ... inspection of the distribution of charged residues in Fig. 22.4.3.1(a), is clearly more apparent in the potential distribution. Fig. 22.4.3.1 ... charges in active sites and other cleft regions. Figure 22.4.3.1 | | (a) The proteolytic enzyme thrombin (yellow backbone worm) complexed with ...

Applications
Sharp, K. A.  International Tables for Crystallography (2012). Vol. F, Section 22.4.3, pp. 732-734 [ doi:10.1107/97809553602060000888 ]
... complement analysis of the atomic coordinates. For example, Fig. 22.4.3.1(a) shows the distribution of charged residues in the binding site ... inspection of the distribution of charged residues in Fig. 22.4.3.1(a), is clearly more apparent in the potential distribution. Fig. 22.4.3.1 ... charges in active sites and other cleft regions. Figure 22.4.3.1 | | (a) The proteolytic enzyme thrombin (yellow backbone worm) complexed with ...

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