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How does an FEP evaluation work?
When you partner with Cresset, we share your goals and challenges. With dedicated support at every step of your FEP software evaluation, you will...
Active learning FEP
Combining fast predictive power with accurate affinity prediction to prioritize bioisosteres
Analysis of electrostatic interactions
Quantify electrostatically driven SAR and predict electrostatic target selectivity
Field similarity for ligand-based design
Fast comparison of the full electrostatic potential of 3D conformations
Fields on proteins
Distinguish between protein and ligand interaction potentials to design for optimum binding
Cresset field points
See at a glance where a molecule can make electrostatic interactions
XED Force Field
Accurately model intermolecular interactions of small molecules, water and proteins
Introduction to Cresset technology
Quantify electrostatically driven SAR and predict electrostatic target selectivity
Cresset Engine Broker™
Speed up your drug discovery experiments by running calculations on a remote server or cluster
XedTools™
Command line utilities giving you access to Cresset’s XED force field
PickR™
Select electrostatically diverse monomers for high quality libraries and better intellectual property
Lead Finder™
Great leads from high-throughput docking