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Chitin Builder: a VMD tool for the generation of structures of chitin molecular crystals for atomistic simulations.
David Malaspina
Jordi Faraudo
Published in:
J. Open Source Softw. (2024)
Keyphrases
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molecular dynamics
molecular structure
structural analysis
neural network
multiscale
simulation models
databases
website
simulation model
drug discovery
molecular dynamics simulations
database systems
numerical simulations