Login / Signup

An Efficient Metadynamics-Based Protocol To Model the Binding Affinity and the Transition State Ensemble of G-Protein-Coupled Receptor Ligands.

Noureldin SalehPassainte IbrahimGiorgio SaladinoFrancesco L. GervasioTimothy Clark
Published in: J. Chem. Inf. Model. (2017)
Keyphrases
  • computational model
  • probabilistic model
  • high level
  • feature selection
  • objective function
  • learning algorithm
  • similarity measure
  • probability distribution
  • mathematical model
  • finite state machines
  • state information