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Binding affinity estimation from restrained umbrella sampling simulations.
Vivek Govind Kumar
Adithya Polasa
Shilpi Agrawal
Thallapuranam K. Suresh Kumar
Mahmoud Moradi
Published in:
Nat. Comput. Sci. (2023)
Keyphrases
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importance sampling
parameter estimation
estimation error
error analysis
pairwise
sample size
databases
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social networks
mobile robot
simulation study
parameter space
density estimation
random sampling
estimation algorithm
accurate estimation