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A Computationally Fast and Parametric Model to Estimate Protein-Ligand Docking Time for Stochastic Event Based Simulation.

Preetam GhoshSamik GhoshKalyan BasuSajal K. Das
Published in: Trans. Comp. Sys. Biology (2007)
Keyphrases
  • parametric models
  • ligand docking
  • molecular dynamics
  • parameter estimates
  • discrete event
  • simulation model
  • flow field
  • amino acids
  • protein structure prediction
  • protein function
  • molecular dynamics simulations