title: Predicting RNA Structures via a Simple van der Waals Correction to an All-Atom Force Field.
abstract: 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.
authors.affiliation: Department of Chemistry and Institute of Functional Materials, Pusan National University , Busan 46241, South Korea.
authors.forename: Changwon
authors.initials: C
authors.lastname: Yang
authors.affiliation: Department of Chemistry and Institute of Functional Materials, Pusan National University , Busan 46241, South Korea.
authors.forename: Manho
authors.initials: M
authors.lastname: Lim
authors.affiliation: College of Pharmacy, Chosun University , Gwangju 61452, South Korea.
authors.forename: Eunae
authors.initials: E
authors.lastname: Kim
authors.affiliation: Department of Chemistry and Institute of Functional Materials, Pusan National University , Busan 46241, South Korea.
authors.forename: Youngshang
authors.identifier: http://orcid.org/0000-0002-7083-8672
authors.initials: Y
authors.lastname: Pak