A Quantum Mechanically Derived All-Atom Force Field for Pyranose Oligosaccharides. AMBER* Parameters and Free Energy Simulations

This publication has 98 references indexed in Scilit:

• Molecular dynamics study of conformational and anomeric equilibria in aqueous D-glucose
  The Journal of Physical Chemistry, 1993
• A CHARMm Based Force Field for Carbohydrates Using the CHEAT Approach: Carbohydrate Hydroxyl Groups Represented by Extended Atoms
  Molecular Simulation, 1993
• The role of hydrogen bonding in carbohydrates: molecular dynamics simulations of maltose in aqueous solution
  The Journal of Physical Chemistry, 1993
• Preferred conformation of C-glycosides. 9. Conformational analysis of 1,4-linked carbon disaccharides
  The Journal of Organic Chemistry, 1992
• Theoretical studies on the conformation of saccharides. VIII. Solvent effect on the stability of β‐cellobiose conformers
  Biopolymers, 1984
• A neutron diffraction refinement of the crystal structure of β-maltose monohydrate
  Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 1977
• The crystal and molecular structure of phenyl α-maltoside
  Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 1976
• Crystal and molecular structure of maltose monohydrate
  Journal of the American Chemical Society, 1970
• The crystal structure of methyl β-maltopyranoside
  Acta Crystallographica, 1967
• The crystal and molecular structure of cellobiose
  Acta Crystallographica, 1961