Predicting RNA Structures via a Simple van der Waals Correction to an All-Atom Force Field
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https://figshare.com/articles/dataset/Predicting_RNA_Structures_via_a_Simple_van_der_Waals_Correction_to_an_All-Atom_Force_Field/4515491
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资源简介：
We
proposed a simple van der Waals backbone correction (O2′ and
OP) to the AMBER ff12 force field in conjunction with the OPC water
via an unequal Lorentz–Berthelot combination rule. As tested
on four different tetranuceotides such as r(GACC), r(CCCC), r(AAAA),
and r(CAAU), this new force field correctly captured each native fold
as the largest population. For a RNA tetraloop (UUCG) tested, the
stability of its native fold is substantially improved.
创建时间：
2017-01-03
