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Monte carlo simulations of proteins at constant pH with generalized born solvent, flexible sidechains, and an effective dielectric boundary.

Savvas PolydoridesThomas Simonson
Published in: J. Comput. Chem. (2013)
Keyphrases
  • monte carlo simulation
  • monte carlo
  • markov chain
  • high throughput
  • machine learning
  • learning algorithm
  • object boundaries
  • amino acid sequences