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.