Zhou Huan-Xiang
Department of Physics and Institute of Molecular Biophysics, Florida State University, Tallahassee, FL 32306, USA.
Curr Opin Struct Biol. 2014 Apr;25:67-76. doi: 10.1016/j.sbi.2014.01.004. Epub 2014 Feb 1.
Biomolecular systems have been modeled at a variety of scales, ranging from explicit treatment of electrons and nuclei to continuum description of bulk deformation or velocity. Many challenges of interfacing between scales have been overcome. Multiple models at different scales have been used to study the same system or calculate the same property (e.g., channel conductance). Accurate modeling of biochemical processes under in vivo conditions and the bridging of molecular and subcellular scales will likely soon become reality.
生物分子系统已在各种尺度上进行建模,范围从对电子和原子核的显式处理到对整体变形或速度的连续介质描述。尺度之间衔接的许多挑战已被克服。不同尺度的多个模型已被用于研究同一系统或计算同一属性(例如,通道电导)。在体内条件下对生化过程进行精确建模以及分子尺度和亚细胞尺度的衔接可能很快就会成为现实。