Conference Day Two

8:15 am Login & Networking


Join our morning virtual coffee chat room to meet with your fellows and get the conversation going!

8:30 am Opening Remarks from the Chair

Computational Drug Development for Biologics 2.0

9:00 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 Session Reserved for Schrodinger, Inc

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


  • Determining the need to build more data and how to focus these collaborations internally and externally
  • Discovering methods to utilize limited data to accelerate your drug discovery and development

10:45 am Morning Speed Networking


Connect with your industry peers through our virtual speed networking tool. You will be paired up with a fellow colleague for a 5-minute ice breaking conversation!

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


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

11:45 am Utilizing Molecular Modeling to Guide Biotherapeutics Formulation


  • Intravenous vs. subcutaneous: Story of the first oncology mAb and need for high concentration formulation
  • Where and how in silico modeling can help biotherapeutics formulation? Risk assessment; protein-protein interactions; virtual excipient screening
  • Opportunities and future directions to expand the usage of modeling in biologics drug product development

12:15 pm Panel Discussion: Analyzing Computational Design & Characterization of Nanobodies


  • Reviewing currently emerging and powerful nanobodies approved in market
  • Exploring better, logistic alternatives to intravenously administered antibodies

12:45 pm Lunch


Grab a bite while joining our virtual lunch chat room, or use this opportunity to visit our Partners’ Virtual Booths

De Novo Antibody Design through Computational Tools

1:30 pm Antibody Modeling: Is High-Accuracy Required to Enable Design & Engineering?


  • Strengths and weaknesses of antibody design & optimization
  • Utilizing comparative modelling to bridge the gap between sequence and structure space
  • Overview of available databases, methods and emerging trends in antibody analysis and engineering of optimized antibody therapeutics

2:00 pm A Novel & Efficient Workflow for the Humanization of Therapeutic Monoclonal Antibodies

  • Akbar Nayeem Principal Scientist, Molecular Structure & Design, Bristol-Myers Squibb


  • Obstacles to selecting the optimal template for humanization
  • The Structural Annotation Index (SAI) as an indicator to guide selection of back mutations
  • Optimal pairing of VH/VL chains

2:30 pm Afternoon Speed Networking


Take this opportunity to meet with our expert partners for 1-2-1 meetings to find out about their latest innovations.

3:00 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

3:30 pm 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

4:00 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.

4:30 pm Chair’s Closing Remarks & End of Summit