This session was presented by Kalistyn Burley, PhD, Application Scientist at OpenEye, Cadence Molecular Sciences. Kalistyn has a background in pharmaceutical drug design, molecular dynamics method development, and structural biology. She studied Engineering Sciences at Dartmouth College, was a wet-lab biologist, and then pursued a PhD in Pharmaceutical Sciences from the University of California, Irvine. At UC Irvine, she was jointly advised by Dr. David Mobley and Dr. Celia Goulding. Her research focused on molecular dynamics method development and structural characterization of potential drug targets from Mycobacterium tuberculosis. Before joining OpenEye she was a computational chemist at Vertex Pharmaceuticals and Neomorph, where she gained hands-on experience applying OpenEye’s software suite to accelerate drug discovery projects.
About this session
This webinar gives a high-level overview of the functionality of Orion® and includes a demo of how to compute, analyze, and share modeling results.
At the core of OpenEye Cadence Molecular Science is a suite of software applications and toolkits for molecular modeling and cheminformatics that aid scientists throughout the drug discovery process, from the lead generation to the formulation. The ability to efficiently perform molecular modeling tasks at any scale and to share workflows and results across globally distributed teams provides a tremendous advantage.
OpenEye’s cloud-native modeling platform, Orion®, seamlessly delivers OpenEye’s robust science in an easy-to-use web interface, backed by the compute resources of Amazon Web Services. As OpenEye pushes the frontiers of science, novel methods including cryptic pocket detection and non-equilibrium switching for relative binding free energy calculations, are thoughtfully developed and implemented into streamlined WorkFloes.
Furthermore, Orion® is a flexible and open platform that can be tailored with custom Floes and integrations with 3rd-party tools to meet your organization's needs.
