Gilson M K
Center for Advanced Research in Biotechnology, Rockville, USA.
Curr Opin Struct Biol. 1995 Apr;5(2):216-23. doi: 10.1016/0959-440x(95)80079-4.
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.
在过去的一年里，生物分子静电相互作用建模方面取得了重大进展。本综述重点介绍了以下领域的进展：第一，在详细分子模拟中长程静电相互作用的高效计算；第二，泊松-玻尔兹曼静电模型在构象分析中的应用；第三，泊松-玻尔兹曼模型在量子化学计算中的应用；第四，原子参数的发展；最后，蛋白质中电离平衡的建模。
