Multipolar electrostatics for hairpin and pseudoknots in RNA: Improving the accuracy of force field potential energy function

Yuan, YN; Fu, SW; Huo, DX; Su, W; Zhang, RS; Wei, JX

Yuan, YN; Wei, JX (corresponding author), Lanzhou Univ, Sch Informat Sci & Engn, Lanzhou 730000, Gansu, Peoples R China.

JOURNAL OF COMPUTATIONAL CHEMISTRY, 2021; 42 (11): 771

Abstract

Molecular dynamics (MD) simulations that rely on force field methods has been widely used to explore the structure and function of RNAs. However, the ......

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