Login / Signup
Converging free energies of binding in cucurbit[7]uril and octa-acid host-guest systems from SAMPL4 using expanded ensemble simulations.
Jacob I. Monroe
Michael R. Shirts
Published in:
J. Comput. Aided Mol. Des. (2014)
Keyphrases
</>
distributed systems
numerical simulations
simulation tools
data sets
higher order
markov random field
intelligent systems
feature selection
expert systems
management system
building blocks
benchmark datasets
ensemble methods
computing systems
simulation models