期刊
CURRENT OPINION IN STRUCTURAL BIOLOGY
卷 52, 期 -, 页码 119-126出版社
CURRENT BIOLOGY LTD
DOI: 10.1016/j.sbi.2018.11.005
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资金
- National Institute of General Medical Sciences of the National Institutes of Health [P50-GM082545]
- National Science Foundation [CHE-1465248]
- Ruth L. Kirschstein National Research Service Award Postdoctoral Fellowship [F32-GM125218]
Recent progress in coarse-grained (CG) molecular modeling and simulation has facilitated an influx of computational studies on biological macromolecules and their complexes. Given the large separation of length-scales and time-scales that dictate macromolecular biophysics, CG modeling and simulation are well-suited to bridge the microscopic and mesoscopic or macroscopic details observed from all-atom molecular simulations and experiments, respectively. In this review, we first summarize recent innovations in the development of CG models, which broadly include structure-based, knowledge based, and dynamics-based approaches. We then discuss recent applications of different classes of CG models to explore various macromolecular complexes. Finally, we conclude with an outlook for the future in this ever-growing field of biomolecular modeling.
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