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A Computationally Fast and Parametric Model to Estimate Protein-Ligand Docking Time for Stochastic Event Based Simulation.
Preetam Ghosh
Samik Ghosh
Kalyan Basu
Sajal K. Das
Published in:
Trans. Comp. Sys. Biology (2007)
Keyphrases
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parametric models
ligand docking
molecular dynamics
parameter estimates
discrete event
simulation model
flow field
amino acids
protein structure prediction
protein function
molecular dynamics simulations