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The Score service allows to calculate some different docking scores of ligand-receptor complexes that can be submitted as a whole file containing both interaction partners or as two separated files. The calculation phase is provided by VEGA and consists in the evaluation of the following scores/energies:

• Broto
  Hydrophobic interaction calculated using the Broto's and Moreau's atomic constants.
   
• Broto square distance
  Hydrophobic interaction in which the distance between interacting atom pairs is considered as square value.
   
• Broto cube distance
  Hydrophobic interaction in which the distance between interacting atom pairs is considered as cube value.
   
• Broto Fermi's equation
  Hydrophobic interaction in which the distance is evaluated by the Fermi's equation.
   
• CHARMM 22 R6-R12
  R⁶-R¹² non-bond interaction evaluated by CHARMM 22 force field.
   
• CHARMM 36 R6-R12
  R⁶-R¹² non-bond interaction evaluated by CHARMM 36 force field.
   
• CVFF R6-R12
  R⁶-R¹² non-bond interaction evaluated by CVFF force field.
   
• Electrostatic
  Electrostatic interaction.
   
• Electrostatic distance dependent
  Distance-dependent electrostatic interaction.

Click here to try the new on-line service