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Folding molecular dynamics simulation of T-peptide, a HIV viral entry inhibitor: Structure, dynamics, and comparison with the experimental data.
Ioanna Gkogka
Nicholas M. Glykos
Published in:
J. Comput. Chem. (2022)
Keyphrases
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experimental data
molecular dynamics
dynamic model
human immunodeficiency virus
protein folding
mathematical models
molecular dynamics simulations
finite element model
amino acids
scientific data
high performance computing
physical models
wireless sensor networks
dynamical systems
hiv protease