Reaching new levels of realism in modeling biological macromolecules in cellular environments

摘要: Abstract An increasing number of studies are aimed at modeling cellular environments in a comprehensive and realistic fashion. A major challenge these efforts is how to bridge spatial temporal scales over many orders magnitude. Furthermore, there additional challenges integrating different aspects ranging from questions about biomolecular stability crowded the description reactive processes on scales. In this review, recent with models biomolecules levels detail discussed terms their strengths weaknesses. particular, atomistic models, implicit representations environments, coarse-grained spheroidal biomolecules, as well inclusion via reaction–diffusion described. strategies for into discussed.