GBEMP Model for Proteins

AMBER simulations (in TIP3P explicit solvent model [76]). As such, in terms of speed and efficiency, our GBEMP model underperforms medium-resolution MARTINI model by the factor of about 2 [77] but it can outperform high-resolution PRIMO CG model by the factor of about 2 [36], 

Guohui Li thanks grants supported from the Ministry of Science and Technology of China (863 project No. 2012AA01A305 973 project No. 2012CB721002) and the National Science Foundation of China under Contract No. 31370714, 91227126). Hundreds Talent Program of Chinese Academy of Sciences. 

Karplus, M., and McCammon, J. A. (2002). Molecular dynamics simulations of biomolecules, Nat Struct. Biol, 9, pp. 646-652. 

Karplus, M., and Kuriyan, J. (2005). Molecular dynamics and protein function, Proc. Natl Acad. Scl U. S. A., 102, pp. 6679-6685. 

Sherwood, P., Brookes, B. R., Sansom, M. S. P. (2008) Multiscale methods for macromolecular simulations, Curr. Opin. Struct. Biol, 18, pp. 630-640. 

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