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Molecular Dynamics and Machine Learning reveal distinguishing mechanisms of Competitive Ligands to perturb α,β-Tubulin.
Debadrita Basu
Shubhra Ghosh Dastidar
Published in:
Comput. Biol. Chem. (2024)
Keyphrases
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molecular dynamics
machine learning
scientific data
high performance computing
machine learning methods
molecular dynamics simulations
data mining
protein folding
computer vision
digital libraries
active learning
data warehouse
building blocks
fluid flow