Conference Day Two

8:30 am Opening Remarks from the Chair

8:40 am Leveraging Bioinformatics to Support Drug Development


  • Bioinformatics tools to help us profile and understand the effect of multi-mutations in recombinant protein sequencing
  • Codon usage tables of all species, human tissues and cancer primary cells to assist with various techniques, such as gene therapy or cancer vaccines
  • Examples for future considerations

9:10 am Accurate Prediction of Protein Thermodynamic Stability Changes upon Residue Mutation using Free Energy Perturbation


  • Physical stability is a key determinant of the clinical and commercial success of biological therapeutics
  • Experimental techniques for measuring the impact of amino acid residue mutation on the stability of proteins can be time-consuming and costly
  • We demonstrate the success of a rigorous physics-based computational method, Free Energy Perturbation (FEP), at quantitatively evaluating the relative thermodynamic stability of a diverse set of proteins mutants

9:40 am A Cross-Product Method for Rapidly De-Risking Chemical Liabilities in Antibody Based Candidates


  • Exploring rationale and initial successes
  • Delving into lessons learned and hurdles to initial implementation, such as data format and quality

10:10 am Panel Discussion: Exploring Data Availability & Accessibility Opportunities & Challenges

  • Neeraj Agrawal Principal Scientist, Group Lead of Attribute Science Data Engineering, Amgen
  • Yao Fan Principal Research Scientist, AbbVie
  • Will Weiss Director, Biotechnology Discovery Research Lead Optimization, Eli Lilly & Company
  • Dea Shahinas CEO, Deep Biologics


  • Where are we with data capture, regarding availability and accessibility?
  • Looking at the barriers to data sharing and collaboration
  • Discussing how future developments could increase collaboration
  • The emergence of approaches and efforts to minimize dataset size requirements

11:15 am Ensembles in Solution as a New Paradigm in Antibody Structure Design


  • Exploring paratope states in solution
  • Determining antibody-antigen recognition – docking

1:00 pm Improving the Drug-Like Properties of Affinity-Matured Antibodies via QSPR


  • Affinity maturation often produces a panel of prospective lead candidates
  • These candidates have a diverse range of drug-like properties
  • Utilizing QSPR and machine Learning we are able to identify residues that drive an unwanted drug-like property
  • In this talk, we validate this approach by mitigating off-target interactions of high-affinity binders

1:30 pm Understanding Timescales & Mechanisms of Amyloid Aggregation


  • Appreciating amyloid aggregation spans timescales from nanoseconds to decades
  • Theory mechanisms and timescales associated with secondary structure formation, template search, and nucleation
  • Using insights from theory, multi-scale simulations are used to target events at each timescale

2:00 pm Strategies to Enhance NK Cell Therapies Using Single Cell Multi-Omics Approaches

  • Sombeet Sahu Principal Scientist, Bioinformatics , Nkarta Inc.


This session will focus on how advanced single cell multi-omics technologies and translational informatics will play a critical role in cell therapy drug development.