PRE-CONFERENCE WORKSHOP DAY - Tuesday, June 11

Workshop A: Unveiling the Protein Universe: Structure-Based Drug Design with NMR, X-Ray Crystallography, & Cryo-EM

Workshop B: Navigating the Protein Samples for Each Structural Technique to Optimize Protein Production & Supercharge Structure Determination

Workshop C: Diving Deep Into Data: Cultivating Data Acquisition & Management for Structure-Based Drug Design

8:00 am Workshop Check-In & Coffee

Workshop A | 9:00am – 11:00am

Unveiling the Protein Universe: Structure-Based Drug Design with NMR, X-Ray Crystallography, & Cryo-EM

  • Dave Brown Head of Structural Sciences, Molecular Modelling & Chemoinformatics, Servier
  • Jason Cross Institute Director, MD Anderson Cancer Center

Synopsis

This workshop delves into the world of structure-based drug design, where understanding and capturing protein structures holds the key to rationalizing transformative therapies in drug discovery. Whether you’re a seasoned structural biologist or a curious newcomer, this interactive session will equip you with the knowledge and practical skills to leverage the powerful tools at your fingertips.

  • Shining a spotlight on the theoretical and practical nuances of each technique to maximise the opportunity, appreciating the strengths, limitations, and complementary roles in drug design
  • Navigating the world of structure-based drug design to understand how each technique reveals pivotal details on protein structure and function
  • Leveraging cutting-edge protocols to generate high-quality protein structures, maximizing data acquisition and analysis efficiently
  • Discovering the diverse applications of structural techniques in drug discovery and development, understanding how each technique contributes to the drug design process

11:00 am Morning Break

Workshop B | 11:30am – 1:30pm

Navigating Protein Samples for Each Structural Technique to Optimize Protein Production & Supercharge Structure Determination

Synopsis

This workshop dives into the realm of protein samples, the crucial yet demanding foundation for unveiling protein structures using techniques in the structural toolbox including NMR, X-Ray Crystallography, and Cryo-EM. This workshop will equip you and your team with the knowledge and practical tips to optimize your samples for each technique, maximising your opportunity to capture protein set for structurebased drug design needs.

  • Understanding, in a perfect world, the ideal protein for each technique and illuminating the interplay between protein samples and structural techniques
    • NMR: Exploring how protein size, isotopic labelling, buffer conditions influence NMR and resonance
    • X-Ray Crystallography: Delving into protein purity, crystallization strategies, and cryoprotection methods to generate high-quality crystals
    • Cryo-EM: Discussing protein concentration, buffer composition, and vitrification techniques for preparing frozen samples to capture protein dynamics close to native states
  • Collating the amount of protein needed to achieve higher resolution structures
  • Exploring sample diversity to enable understanding of how to achieve the highest quality sample
  • Rethinking structural technique strategies to mitigate obstacles and harness the potential of the protein at play
  • Honing strategies to implement to overcome protein sample obstacles for successful structure-based drug design
  • Optimizing protein performance through expression systems, protein purification, and sample labelling and modification

1:30 pm Lunch & Networking

Workshop C | 2:30pm – 4:30pm

Diving Deep into Data: Cultivating Data Acquisition & Management for Structural-Based Drug Design

  • Rinku Jain Principal Scientist - Research, Abbvie

Synopsis

This workshop sets to delve into data, with so much data generated from each structural technique this is your unique opportunity to unite with peers to understand how best to store and process this data to propel your team’s structure determination and drug design projects.

  • Discussing efficient data storage and organization strategies to enable easy access, retrieval, and sharing of valuable structural data
  • Navigating the diverse landscape of software tools and pipelines tailored to each technique to facilitate data processing, analysis and visualization
  • Exploring advancements in AI-powered data processing, cloud-based data storage, and automated structure interpretation algorithms