Why do FEP yourself? The business case for outsourcing FEP calculations

Why do FEP yourself? The business case for outsourcing FEP calculations

Date and duration

We are hosting this 45-minute webinar over alternative sessions:

  • November 9th • 12pm EST / 9am PST / 5pm GMT
  • November 10th • 9am GMT


The power of Free Energy Perturbation (FEP) to facilitate ligand design has been widely demonstrated in many recently published papers and reviews. Effective implementation of this method requires computational chemistry expertise. What if your company does not have an in-house computational chemistry team, or has a computational chemistry team whose resources are already exhausted?

In this webinar, you will learn how Cresset Discovery CADD scientists work with your in-house research team, offering expertise in the application of FEP methods to advance your drug discovery programs. Bringing in external experts to assist your team with FEP can have a huge impact by saving your team valuable time on lead generation or fragment optimization. Instead, your team can focus their efforts and energy on designing compounds and advancing your drug discovery projects efficiently and cost effectively rather than learning how to use computational software.

About the presenter

Dr Rachelle Bienstock

Rachelle Bienstock

Dr Rachelle Bienstock is a Senior Scientist in the Cresset Discovery team. She obtained a PhD in Chemistry from the University of Michigan in Ann Arbor, MI, USA. Her background is as a biophysical chemist applying spectroscopic and computational methods for structure-function studies of biological systems of interest. Prior to joining Cresset, Rachelle worked as a computational chemist and molecular modeler contractor at the NIH laboratory, NIEHS, in Research Triangle Park, NC.