Application of Multiple Topology λ-Dynamics to a Host−Guest System: β-Cyclodextrin with Substituted Benzenes

This publication has 20 references indexed in Scilit:

• Free energy screening of small ligands binding to an artificial protein cavity
  The Journal of Chemical Physics, 2000
• Designing an Optimum Guest for a Host Using Multimolecule Free Energy Calculations: Predicting the Best Ligand for Rebek's “Tennis Ball”
  Journal of the American Chemical Society, 1998
• λ-dynamics: A new approach to free energy calculations
  The Journal of Chemical Physics, 1996
• Molecular Modelling of Saccharides, 9!! On the Hydrophobic Characteristics of Cyclodextrins: Computer‐Aided Visualization of Molecular Lipophilicity Patterns
  European Journal of Organic Chemistry, 1996
• Simulated annealing on free energy surfaces by a combined molecular dynamics and Monte Carlo approach
  The Journal of Physical Chemistry, 1993
• Theoretical studies of radical recombination reactions. 4. An AM1/CI study of reactions of benzylic and allylic radicals. An intrinsic barrier to bond formation
  The Journal of Organic Chemistry, 1991
• Association of Some Polynuclear Aromatic Hydrocarbons with Cyclodextrins in Aqueous Medium
  Bulletin of the Chemical Society of Japan, 1989
• Comparison of simple potential functions for simulating liquid water
  The Journal of Chemical Physics, 1983
• CHARMM: A program for macromolecular energy, minimization, and dynamics calculations
  Journal of Computational Chemistry, 1983
• Trimethylphosphane Complexes of Nickel, Cobalt, and Iron—Model Compounds for Homogeneous Catalysis
  Angewandte Chemie International Edition in English, 1980