Macs in Chemistry

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FITTED has been updated

FITTED has been updated to 2.6.1 and is available for download.
FITTED is a suite of programs to dock flexible ligands into flexible proteins. This software relies on a genetic algorithm to account for flexibility of the two molecules and location of water molecules, and on a novel application of a switching function to retain or displace water molecules and to form potential covalent bonds with the protein side-chains.

  • FITTED is a suite of programs (FITTED, ProCESS and SMART)
  • Fully automated and flexible docking program
  • Uses an evolutionary algorithm
  • Semi-flexible protein docking with flexible waters
  • Has the ability to consider water molecules displaceable
  • Different docking modes available: Dock, Filter, SAR, VS and Score
  • Runs on Linux, Mac and Windows
  • Accuracy and speed

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