BioPharmics LLC

BioPharmics LLC was founded in 1998 to develop algorithms and software for computational drug design. We have leading solutions in the areas of 2D to 3D ligand conversion and conformer generation (FGen3D and ForceGen), molecular docking (Surflex-Dock), molecular similarity (eSim), binding affinity prediction (QuanSA), and real-space modeling of ligand ensembles in X-ray density maps. All methods within the Surflex platform couple physical realism in modeling protein-ligand interactions with algorithms for rapid optimization of conformation and alignment of small molecules.