Published in
Royal Society of Chemistry, Physical Chemistry Chemical Physics, 39(21), p. 21918-21931, 2019
DOI: 10.1039/c9cp03434j
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Extensive tests and evaluation of the CHARMM36IDPSFF force field for intrinsically disordered proteins and folded proteins
Journal article published in 2019 by
Hao Liu,
Dong Song 
,
Yangpeng Zhang,
Sheng Yang,
Ray Luo,
Hai-Feng Chen
,
Yangpeng Zhang,
Sheng Yang,
Ray Luo,
Hai-Feng Chen
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Abstract
C36IDPSFF force field performs well in both disordered proteins and folded proteins, and achieves similar accuracy to a99SB-disp in relatively short-time simulations.