DOI: 10.1039/d3cp03070a ISSN:

A study of ab initio folding of chignolins using replica-exchange molecular dynamics simulations

Guojie Cheng, Panpan Wang, Huihui Liu, Dawei Zhang
  • Physical and Theoretical Chemistry
  • General Physics and Astronomy

Polarization effect introduced by PSBC model on the dominant noncovalent interactions of chignolins during the folding simulation was studied in the paper.

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