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SCIGRESS - Computational Tools - CONFLEX7

CONFLEX® permits fast, accurate, automated conformation searching and analysis critical to drug discovery and chemical engineering. Unique to CONFLEX is its capability to completely search the conformational space of a flexible molecule to find every optimal structure of chemically significant conformers.

Utilizing several unique strategies, CONFLEX exhaustively searches conformational space to identify the most stable structures using:

  • Stepwise, one-at-a-time perturbations

  • Three perturbation modes to mimic thermal vibration

  • User-selectable force fields calculations

  • User-variable search limit

Please refer to www.conflex.us for details on how to obtain the program.