Fluorinated Alcohol Biosolvents and <i>α</i>-Helix Peptide Secondary Structure: A Molecular Dynamics Study on the Solvent Concentration Effect

An upgraded GAFF2 force field has been used to simulate two fluorinated alcohols, TFE and HFIP, in aqueous solutions at several concentrations. The same force field has also been employed to simulate a 26-residue amphiphilic peptide in several cosolvent/water mixtures to verify and clarify its effic...

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Ngā kaituhi matua:	Michele Casoria, Marco Pagliai, Claudia Andreini, Anna Maria Papini, Piero Procacci, Marina Macchiagodena
Hōputu:	Artigo
Reo:	Inglês
I whakaputaina:	MDPI AG 2026-01-01
Rangatū:	Liquids
Ngā marau:	biosolvents force field molecular dynamics simulations TFE HFIP secondary structure
Urunga tuihono:	https://www.mdpi.com/2673-8015/6/1/6
Ngā Tūtohu:	Tāpirihia he Tūtohu Kāore He Tūtohu, Me noho koe te mea tuatahi ki te tūtohu i tēnei pūkete!