April 16-18, 2019
OpenEye will be attending and presenting at BioIT World this year.Please join us on Wednesday, April 17, 2019 at 2:55pm as Mark McGann, Principal Developer from OpenEye presents:
Virtual Screening of 1.43 Billion Molecules
Cloud computing can provide massive computational power to virtual screening using either docking or ligand-based methods. We present the docking into Purine Nucleoside Phosphorylase of 1.43 Billion molecules in the Enamine Real dataset. This calculation, on OpenEye’s cloud-based platform Orion, took approximately 24 hours. The ligand-based virtual of the same database on the same target took one hour. We present the scientific results of these virtual screens and will discuss the value of doing computations at this scale.
We are also exhibiting. Please stop by and visit us at Booth #417.