Fast coarse-grained model for RNA titration
作者： Fernando Luís Barroso da Silva , Philippe Derreumaux , Samuela Pasquali
DOI: 10.1063/1.4972986
关键词:
摘要: A new numerical scheme for RNA (ribonucleic acid) titration based on the Debye-Huckel framework salt description is proposed in an effort to reduce computational costs further applications study protein-RNA systems. By means of different sets Monte Carlo simulations, we demonstrated that this able correctly reproduce experimental behavior and pKa shifts. In comparison with other theoretical approaches, similar or even better outcomes are achieved at much lower costs. The model was tested lead-dependent ribozyme, branch-point helix, domain 5 from Azotobacter vinelandii Intron 5.
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