A Generalized Attraction-Repulsion Potential and Revisited Fragment Library Improves PEP-FOLD Peptide Structure Prediction

Fast and accurate structure prediction is essential to the study of peptide function, molecular targets, and interactions and has been the subject of considerable efforts in the past decade. In this work, we present improvements to the popular simplified PEP-FOLD technique for small peptide structur...

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Veröffentlicht in:	Journal of chemical theory and computation Jg. 18; H. 4; S. 2720
Hauptverfasser:	Binette, Vincent, Mousseau, Normand, Tuffery, Pierre
Format:	Journal Article
Sprache:	Englisch
Veröffentlicht:	United States 12.04.2022
Schlagworte:	Algorithms Models, Molecular Peptides - chemistry Protein Conformation
ISSN:	1549-9626, 1549-9626
Online-Zugang:	Weitere Angaben
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