Researchers at Stanford have discovered new, chemically distinct opioid receptor ligands that may be used to develop safer opioid therapeutics. Opioids are ligands that bind to the mu, delta, and/or kappa opioid receptors.
Stanford researchers have developed descriptors based on OpenEye Rapid Overlay of Chemical Structures (ROCS) that, when paired with machine learning methods improve virtual screening performance.
Researchers in Prof. Vijay Pande's laboratory developed a novel computational technique (“SCISSORS”) that affords several orders of magnitude acceleration in chemical library screening.