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Development of CHARMM compatible force field parameters and molecular dynamics simulations for the pesticide flupyradifurone.
Zakaria Bouchouireb
Steeve H. Thany
Jean-Yves Le Questel
Published in:
J. Comput. Chem. (2024)
Keyphrases
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force field
molecular dynamics simulations
computer vision
maximum likelihood
active contours
parameter estimation
molecular dynamics
image processing