Workshops at FBLD 2018


Introduction to FBLD Workshop

A workshop organised by Rod Hubbard will be run on the afternoon of Sunday 7th October. This will provide an introduction to (or a refresher in) the established methods of FBLD - to include fragment library design, finding fragments that bind and strategies for using fragments to generate hits.

It is anticipated the workshop will start at 13:00 and last for 3 hours with a refreshment break. Confirmed tutors are Dan Erlanson of Carmot Therapeutics and Ben Davis of Vernalis.

An additional fee of $100 per attendees is required to cover cost of room hire and refreshments. You can register for the workshop at the time of registration or return to add this option later.



Vendor sessions

As in previous years, 3 vendors will be running workshops on the afternoon of Sunday 7th October from 16:00 to 18:00. There is no charge for these workshops. They will finish before the opening reception.

The session will start with a 5 minute pitch from each vendor outlining what their session will consist of. You can then decide which of the vendors you want to follow for an in-depth session on their offerings - each in a separate room.

The three vendors and a brief summary of their workshops are:

BioSolveIT - "Fast - Visual - Easy - computer-aided drug design for all chemists"

In this workshop you will learn - hands-on - the use of modern software for hit-finding, hit-to-lead and lead optimization. We will walk you around the drug discovery cycle and show you: how to assess your protein and discover a binding site; how simple modifications to the bound molecule affect the binding affinity; how to replace a scaffold or explore sub-pockets for improved binding; how to keep all your key ADME-parameters in check, while you optimize your lead; and last but not least how to quickly find new starting points in a giant 3.8 billion vendor catalog of compounds ready for purchase.

Instead of dry theory, we will explain those use cases based on real-world scenarios and interesting targets such as Thrombin, BTK, Endothiapepsin and BRD4. Bring your own laptop to try this out for yourself right away and receive the software as well as a free trial license on top. The Software tools are called SeeSAR - "modeling for all chemists" and REAL Space Navigator - "the worlds largest searchable catalog of compounds on demand". You find all the details on

CCG: "Fragment-Based Drug Design: Scaffold Replacement, MedChem Transformations, Fragment Linking, and R-Group Screening"

Combinatorial fragment design and scaffold replacement in the receptor active site will be covered in detail, along with approaches for fragment linking and growing. A method for generating a series of closely related derivatives through medicinal chemistry transformations and the reaction based combinatorial builder will be presented. The use of pharmacophores and 2D/3D descriptors to guide drug design processes will also be discussed.

Workshop Presenter: Michael Drummond, Ph.D., Scientific Applications Manager, Chemical Computing Group. Michael Drummond received his Ph.D. in Inorganic Chemistry from The Ohio State University. During postdoctoral appointments at Oak Ridge National Laboratory and the University of North Texas, his research spanned diverse topics such as carbon capture, materials science, organometallic catalysis, and computer-aided drug design. His CADD research interests include covalent docking, enzyme engineering, and knowledge-based analysis of protein-ligand interactions. He is currently an Scientific Applications Manager for Chemical Computing Group in Montreal, Quebec.

Company information: CCG (Chemical Computing Group) is a leading supplier of software solutions for life sciences. With a proven track record in scientific innovation, CCG continues to provide state-of-the-art applications in drug discovery to pharmaceutical, biotechnology and academic researchers. CCG’s software platform is the Molecular Operating Environment (MOE) which is used by computational chemists, medicinal chemists and biologists in the major pharmaceutical and biotechnology companies throughout the world. CCG has a very strong reputation for collaborative scientific support, maintaining support offices in both Europe and North America. Founded in 1994, CCG is headquartered in Montreal, Canada. For more information visit

Pall ForteBio: "Incorporating the Pioneer FE into an existing FBDD workflow"

Fragment based drug discovery is an important methodology for the discovery of small molecules which bind to proteins of therapeutic interest. At Genentech, we employ fragment screening against a wide variety of targets including the disruption of protein-protein interactions. In our lab we use SPR as an easy, label free, way to assess binding to the target of interest often before any orthogonal assays are available. The use of SPR technology is an essential to our FBDD workflow and the incorporation of the Pioneer FE allows us to utilize the unique capabilities early in our FBDD processes. The single step gradient injection technology allows for the calculation of a KD from a single injection of a fragment which allows for the assessment of ligandability of a target after a primary screen. The competition injections are as orthogonal confirmation of fragment binding into a known site with a control compound. This instrument has provided us with the ability to generate more robust information early on in our FBDD workflow which enables a quick assessment of the target and chemical matter prior to a larger time and resource investment.

Workshop Presenter: Micah Steffek, Senior Scientific Researcher, Genentech

Last Updated: 25th April, 2018 | Tim Kirk

Back to the Top