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Electrostatic interactions in proteins
Sharp, K. A.  International Tables for Crystallography (2012). Vol. F, ch. 22.4, pp. 730-735 [ doi:10.1107/97809553602060000888 ]
Chapter 22.4. Electrostatic interactions in proteins Electrostatic interactions play a key role in determining the structure, stability, binding affinity and ... the structural information provided by crystallography or NMR and obtain a realistic description of the electrostatic potential distribution [varphi](r), energies ... the methods used to obtain potential distributions, energies and forces. A summary of the theory behind application to three broad ...

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 ...
     [more results from section 22.4.3 in volume F]

Numerical methods
Sharp, K. A.  International Tables for Crystallography (2012). Vol. F, Section 22.4.2.5, p. 732 [ doi:10.1107/97809553602060000888 ]
Numerical methods 22.4.2.5. Numerical methods A variety of numerical methods exist for calculating electrostatic potentials of ... solution of the Poisson-Boltzmann equation requires the solution of a three-dimensional partial differential equation, which can be nonlinear. Many ... for treating the nonlinear PB equation include under-relaxation (Jayaram, Sharp & Honig, 1989) and powerful inexact Newton methods (Holst et ...
     [more results from section 22.4.2 in volume F]

Introduction
Sharp, K. A.  International Tables for Crystallography (2012). Vol. F, Section 22.4.1, p. 730 [ doi:10.1107/97809553602060000888 ]
Introduction 22.4.1. Introduction Electrostatic interactions play a key role in determining the structure, stability, binding affinity, chemical ... diffusion space. (2) Binding affinity. Tight specific binding is often a prerequisite for biological activity, and electrostatics make important contributions to ... MD), quantum mechanics (QM) and other computational methods to study a wider range of macromolecular properties, for example specific protein ...

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