8:00 am Registration & Networking

8:40 am Chair’s Opening Remarks

8:45 am Digital Transformation in Big Pharma Biologics Drug Discovery & Development

9:15 am Modelling & Structure-Based Design of Antibody & T cell Receptor Recognition

  • Brian Pierce Assistant Professor, IBBR University of Maryland

9:45 am Protein Thermostability Predictions for Single Point Mutations with FEP

  • Dmitry Lupyan Principal Scientist II, Product Manager for MD-related analyses, Schrodinger

Synopsis

  • Accurately predicting the protein thermostability changes upon single point mutations in silico is a challenge that has implications for understanding diseases as well as industrial applications of protein engineering.
  • Applications of FEP in protein stability calculations in industrial settings have been hindered by a number of limitations, including the inability to perform certain mutations.
  • We have drastically enhanced the FEP+ protein stability protocol to improve its accuracy and expanded the ability to proline mutations and charge-changing mutations.
  • The accuracy of FEP predictions of protein stability over a data set of 87 mutations on five different proteins will be presented where the results show a drastic improvement compared with previous studies.
  • The mean unsigned error of 0.86 kcal/mol and root mean square error of 1.11 kcal/mol wich will further enable driving protein engineering and design projects using FEP.

10:15 am Speed Networking & Morning Networking Break

11:00 am PANEL DISCUSSION: Where Can Computational Tools Have the Most Impact in Biologics?

  • Rafael Depetris Principal Scientist & Structure Based Drug Design Lead, Kadmon Corporation
  • Yao Fan Principal Research Scientist, Abbvie
  • Nicolas Angell Director - Process Development & Pre-Pivotal Attribute Sciences, Amgen
  • Maria Wendt Head of Biologics Research, Sanofi
  • Philip Kim Professor, University of Toronto

11:45 am Platformization of Multi-Specific Protein Engineering: Learning from High-Throughput Screening Data

  • Norbert Furtmann Section Head Data Science & Computational Design, Biologics Research, Sanofi

12:15 pm Networking Lunch

Synopsis

Make the most of your afternoon break & join our informal roundtable discussion:
Computational Drug Discovery, Design & Development in Infectious Diseases

1:45 pm How Repertoire Data is Changing Antibody Science

  • Claire Marks Research Software Engineer, University of Oxford

2:15 pm The Role of Structural Mass Spectrometry in the Discovery & Development of Therapeutic Antibodies

  • Daniel Vallejo Graduate Student Research Assistant, University of Michigan

2:45 pm High-Throughput Antibody Functional Data Analyses to Enhance Drug Discovery

  • Brandon DeKosky Assistant Professor - Chemical Engineering & Pharmaceutical Chemistry, University of Kansas

3:15 pm Poster Presentation

4:00 pm Antibodies Exhibit Multiple Paratope States Influencing VH-VL Domain Orientations

  • Klaus Liedl Professor & Head of the Institute of General, Inorganic & Theoretical Chemistry, University of Innsbruck

4:30 pm Interfacing Computational Modeling with Biophysical Characterization to Guide High-Throughput Protein Engineering

5:00 pm Design & Screening of Proteins & Antibodies Using Machine Learning

5:30 pm Chair’s Closing Remarks & End of Conference Day 1

  • Nicolas Angell Director - Process Development & Pre-Pivotal Attribute Sciences, Amgen