Grossfield Alan
Department of Biochemistry and Biophysics, University of Rochester Medical Center, Rochester, NY, USA.
Biochim Biophys Acta. 2011 Jul;1808(7):1868-78. doi: 10.1016/j.bbamem.2011.03.010. Epub 2011 Apr 3.
G protein-coupled receptors (GPCRs) are a large, biomedically important family of proteins, and the recent explosion of new high-resolution structural information about them has provided an enormous opportunity for computational modeling to make major contributions. In particular, molecular dynamics simulations have become a driving factor in many areas of GPCR biophysics, improving our understanding of lipid-protein interaction, activation mechanisms, and internal hydration. Given that computers will continue to get faster and more structures will be solved, the importance of computational methods will only continue to grow, particularly as simulation research is more closely coupled to experiment.
G蛋白偶联受体（GPCRs）是一类庞大且具有重要生物医学意义的蛋白质家族，近期关于它们的新的高分辨率结构信息大量涌现，为计算建模做出重大贡献提供了巨大机遇。特别是，分子动力学模拟已成为GPCR生物物理学许多领域的推动因素，增进了我们对脂-蛋白相互作用、激活机制和内部水合作用的理解。鉴于计算机将持续变得更快，且会有更多结构得到解析，计算方法的重要性只会不断增加，尤其是当模拟研究与实验联系更为紧密时。
