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AutoParams: An Automated Web-Based Tool To Generate Force Field Parameters for Molecular Dynamics Simulations.
Mark A. Hix
Alice R. Walker
Published in:
J. Chem. Inf. Model. (2023)
Keyphrases
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force field
maximum likelihood
active contours
molecular dynamics simulations
active contour model
parameter estimation
gradient vector flow
molecular dynamics
image analysis
mutual information
information theoretic