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IMSPeptider: A computational peptide collision cross-section area calculator based on a novel molecular dynamics simulation protocol.
Ranieri V. de Carvalho
Daniel Lopez-Ferrer
Katia S. Guimarães
Roberto D. Lins
Published in:
J. Comput. Chem. (2013)
Keyphrases
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molecular dynamics
cross section
molecular dynamics simulations
cross sections
high performance computing
cross sectional
collision detection
scientific data
protein folding
data collection
amino acids
fluid flow
databases
data warehouse
data generation
multislice