Advances in all atom sampling methods for modeling protein-ligand binding affinities

Ítems similars

• Recent Theoretical and Computational Advances for Modeling Protein-Ligand Binding Affinities
  per: Gallicchio, Emilio, et al.
  Publicat: (2011)
• The Binding Energy Distribution Analysis Method (BEDAM) for the Estimation of Protein-Ligand Binding Affinities
  per: Gallicchio, Emilio, et al.
  Publicat: (2010)
• Prediction of SAMPL3 Host-Guest Affinities with the Binding Energy Distribution Analysis Method (BEDAM)
  per: Gallicchio, Emilio, et al.
  Publicat: (2012)
• Parameterization of an effective potential for protein–ligand binding from host–guest affinity data
  per: Wickstrom, Lauren, et al.
  Publicat: (2015)
• Theory of binless multi-state free energy estimation with applications to protein-ligand binding
  per: Tan, Zhiqiang, et al.
  Publicat: (2012)