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Enhancing the binding of the β-sheet breaker peptide LPFFD to the amyloid-β fibrils by aromatic modifications: A molecular dynamics simulation study.
Pavan Krishna Kanchi
Ashok Kumar Dasmahapatra
Published in:
Comput. Biol. Chem. (2021)
Keyphrases
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simulation study
molecular dynamics
amino acids
protein folding
protein sequences
secondary structure
monte carlo
molecular dynamics simulations
protein structure
high performance computing
scientific data
machine learning
fluid flow
mhc class ii
database
data streams