Implicit solvent methods for free energy estimation

This publication has 80 references indexed in Scilit:

• A general and Robust Ray-Casting-Based Algorithm for Triangulating Surfaces at the Nanoscale
  PLOS ONE, 2013
• Recent theoretical and computational advances for modeling protein–ligand binding affinities
  2011
• The role of DNA shape in protein–DNA recognition
  Nature, 2009
• The AGBNP2 Implicit Solvation Model
  Journal of Chemical Theory and Computation, 2009
• CHARMM: The biomolecular simulation program
  Journal of Computational Chemistry, 2009
• Numerical integration techniques for curved-element discretizations of molecule-solvent interfaces
  The Journal of Chemical Physics, 2007
• Motifs for molecular recognition exploiting hydrophobic enclosure in protein–ligand binding
  Proceedings of the National Academy of Sciences, 2007
• Rapid grid‐based construction of the molecular surface and the use of induced surface charge to calculate reaction field energies: Applications to the molecular systems and geometric objects
  Journal of Computational Chemistry, 2001
• Electrostatics of nanosystems: Application to microtubules and the ribosome
  Proceedings of the National Academy of Sciences, 2001
• Continuum solvation model: Computation of electrostatic forces from numerical solutions to the Poisson-Boltzmann equation
  Computer Physics Communications, 1998