Latest Articles

Accelerating Small-Molecule Drug Discovery Using FEP Calculations

small molecule docked in protein
small molecule docked in protein

Free energy perturbation calculations are the current gold standard for computational assessment of binding affinity, in many cases approaching the accuracy of experimental measurements.
Image: Medgirl131/Wikimedia Commons CC0 1.0

Sponsored by Cresset and C&EN BrandLab (gated content, requires registration)

DOWNLOAD White Paper

Related Posts