title: Theory of electrostatic interactions in macromolecules.
abstract: In the past year, substantial progress has been made in the modeling of electrostatic interactions in biomolecules. This review highlights advances in the following areas: first, the efficient computation of long-range electrostatic interactions in detailed molecular simulations; second, the application of the Poisson-Boltzmann electrostatic model in conformational analysis; third, the application of the Poisson-Boltzmann model in quantum chemistry calculations; fourth, the development of atomic parameters; and finally, the modeling of ionization equilibria in proteins.
authors.affiliation: Center for Advanced Research in Biotechnology, Rockville, USA.
authors.forename: M K
authors.initials: MK
authors.lastname: Gilson
mesh_terms: D003198:Computer Simulation; D004563:Electrochemistry; D006860:Hydrogen Bonding; D006863:Hydrogen-Ion Concentration; D046911:Macromolecular Substances; D008956:Models, Chemical; D008968:Molecular Conformation; D011489:Protein Denaturation; D013816:Thermodynamics; D014867:Water / Q000737:chemistry
chemical_list: D046911:Macromolecular Substances; D014867:Water