Conference Day Two
8:30 am Opening Remarks from the Chair
8:40 am Leveraging Bioinformatics to Support Drug Development
Synopsis
- 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
Synopsis
- 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
Synopsis
- 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
Synopsis
- 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
Synopsis
- Exploring paratope states in solution
- Determining antibody-antigen recognition – docking
1:00 pm Improving the Drug-Like Properties of Affinity-Matured Antibodies via QSPR
Synopsis
- 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
Synopsis
- 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
Synopsis
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.