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Conformational landscapes of artificial peptides predicted by various force fields: are we ready to simulate β-amino acids?
- Source :
- Physical Chemistry Chemical Physics. 25:7466-7476
- Publication Year :
- 2023
- Publisher :
- Royal Society of Chemistry (RSC), 2023.
-
Abstract
- We assessed three popular force fields, AMBER ff14SB, CHARMM36m, and OPLS-AA/L in predicting conformational propensities of a β-peptide foldamer in different solvent conditions.
- Subjects :
- General Physics and Astronomy
Physical and Theoretical Chemistry
Subjects
Details
- ISSN :
- 14639084 and 14639076
- Volume :
- 25
- Database :
- OpenAIRE
- Journal :
- Physical Chemistry Chemical Physics
- Accession number :
- edsair.doi...........3359cd0eddb70ad3ae09adc8866d808e
- Full Text :
- https://doi.org/10.1039/d2cp05998c