Day One

Tuesday November 20, 2019

8:00 am Registration, Coffee and Networking

8:50 am Chair’s Opening Remarks

9:00 am Keynote: Realizing Digitally Driven Drug Development – A Call to Action


  • Where is the field of computational drug development for biologics at?
  •  The cultural challenges of harmonizing internal departments and stakeholders
  • Crunching the numbers; how can we assemble the magnitude of data required to develop more powerful prediction tools?

9:30 am
Speed Networking


This session is the ideal opportunity to meet face-to-face with the key thought leaders working in the neuromuscular field. Specifically designed to connect you with new contacts from the most active companies in the field, the renowned Speed Networking session will be one of the most valuable hours you will spend at CCD for Biologics.

10:30 am Morning Refreshments

Computationally-Driven Identification of Antibody Epitopes and Enhancement of Binding Affinity

11:00 am Improved Scoring Function to Reliably Detect Antigen Binding Sites


  • The progress of genomics and proteomics has provided a great deal of information on the sequences, thermodynamics, kinetics, biological functions, and structures of an ever-growing number of protein complexes. However, these techniques can be expensive and time-consuming
  • Although the reliable detection of antigen-binding sites has proven to be a severe computational challenge, we introduce an improved scoring function based on
    the well-established PIPER protein-protein docking engine that factors in terms specific to the binding of antibodies to antigens
  • The method was benchmarked on more than 300 publicly available antibody/ antigen structures revealing a success rate of more than 90%

11:30 am Roche Antibody Formats: Predict the Epitope to Generate Adequate Bi-specifics or Bi-paratopics


  •  A challenge in antibody discovery is to identify, among generated binders, the ones which will hold therapeutic properties
  •  In silico studies and modelling can provide fundamental help in order to focus on binders and formats with the desired (therapeutic) mode of action
  •  A combination of docking and epitope prediction approaches can successfully drive the design of potential drugs candidates though effective formats

12:00 pm Lunch and Networking

Predicting Immunogenicity and the Impacts of Other On and Off Target Binding

1:00 pm Structure Guided Homology Model-Based Humanization of a Mouse Antibody Against Leukemia(B-CLL)


  • Generation of a humanized antibody that specifically targets a unique population of leukemic cells that are overexpressed in certain B-CLL patients
  • Homology model-based humanization designs were successful over sequencebased approaches
  • Case study data will be provided with key lessons learned

1:30 pm Engineering Safer Antibodies: In Silico Design of Antibody Prodrugs


  • Drugging some targets (especially IO targets) with antibodies may result in peripheral toxicity. Ideally antibodies would be active only in the tumor. The antibody prodrug will mask activity until it is activated in the tumor
  • Prodrug mask is conjugated through multiple, conserved, distinct mutated residues near CDRs
  • Designed to bind selectively to tumors, and not to healthy tissue

2:00 pm Afternoon Refreshments, Networking and Poster Session


Dig into the data during the poster session. Discuss new approaches, assess a variety of
case studies and learn from those at the cutting edge of in silico research.

Striving for More Accurate Computer-Aided Prediction of Structure and Function

3:00 pm Scope and Limitations of In Silico Feature Prediction in Therapeutic Proteins


  • During the discovery process of new biologics, there is a need for identifying molecules with optimal developability properties such as chemical stability, solubility, pharmacokinetics etc
  • There is a large number of tools and algorithms out there which can help to identify the root-causes for certain “problems”, e.g. charge patches
  • Finding algorithms to compare and rank different, unrelated molecules, however, remains challenging

3:30 pm Designing Superior Scaffolds Using Genetic Algorithms


  • More details to be disclosed

4:00 pm Panel Session: Predictive Tools for Optimizing Antibody Structure Function and Developability Attributes


  • What are the current predictive limits of our technology
  • What is more needed; greater computational power or biological understanding
  •  mAb-ye too difficult? Can more complex biologics (bispecifics, CAR-T etc) be tamed or are they one step too far
  • Multi-variant optimization – are there “golden rules” which for developability characteristics have the greatest priority

4:45 pm Chair’s Closing remarks

4:50 pm Poster Session Resumes

6:30 pm End of Day One