Scott H Larry
Department of Biological, Chemical and Physical Sciences, Illinois Institute of Technology, Chicago 60616, USA.
Curr Opin Struct Biol. 2002 Aug;12(4):495-502. doi: 10.1016/s0959-440x(02)00353-6.
During the past several years, there have been a number of advances in the computational and theoretical modeling of lipid bilayer structural and dynamical properties. Molecular dynamics (MD) simulations have increased in length and time scales by about an order of magnitude. MD simulations continue to be applied to more complex systems, including mixed bilayers and bilayer self-assembly. A critical problem is bridging the gap between the still very small MD simulations and the time and length scales of experimental observations. Several new and promising techniques, which use atomic-level correlation and response functions from simulations as input to coarse-grained modeling, are being pursued.
在过去几年中，脂质双层结构和动力学性质的计算与理论建模取得了诸多进展。分子动力学（MD）模拟在长度和时间尺度上增加了约一个数量级。MD模拟继续应用于更复杂的系统，包括混合双层和双层自组装。一个关键问题是弥合仍然非常小的MD模拟与实验观测的时间和长度尺度之间的差距。目前正在探索几种新的且有前景的技术，这些技术将模拟中的原子级关联和响应函数用作粗粒度建模的输入。
