Classical electrostatics in biology and chemistry

作者: B Honig , A Nicholls

DOI: 10.1126/SCIENCE.7761829

关键词:

摘要: A major revival in the use of classical electrostatics as an approach to study charged and polar molecules aqueous solution has been made possible through development fast numerical computational methods solve Poisson-Boltzmann equation for solute that have complex shapes charge distributions. Graphical visualization calculated electrostatic potentials generated by proteins nucleic acids revealed insights into role interactions a wide range biological phenomena. Classical also proved be successful quantitative tool yielding accurate descriptions electrical potentials, diffusion limited processes, pH-dependent properties proteins, ionic strength-dependent phenomena, solvation free energies organic molecules.

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