Predicting RNA Structures via a Simple van der Waals Correction to an All-Atom Force Field
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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
