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Polarization effects on peptide conformations at water-membrane interface by molecular dynamics simulation.
Pedro Geraldo Pascutti
Kleber C. Mundim
Amando S. Ito
Paulo Mascarello Bisch
Published in:
J. Comput. Chem. (1999)
Keyphrases
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molecular dynamics
protein folding
amino acids
molecular dynamics simulations
high performance computing
secondary structure
scientific data
protein sequences
protein structure
protein structure prediction
digital libraries
scheduling problem
data management
energy consumption
coarse grained
fluid flow