Enhance Biotherapeutics Design and Development

Biotherapeutics offer a range of unique benefits over small molecule drugs. Their increased affinity and selectivity have allowed researchers to address new and difficult targets. This has led to a dramatic increase in R&D projects centered on antibodies and other biological modalities for treatment such as bispecifics. However, these projects must also overcome similar challenges in safety and pharmacokinetics faced by small molecules, albeit from a different perspective. Factors such as high immunogenicity or low solubility can kill development on an otherwise effective candidate.

Modeling and simulation can significantly advance the development of these new classes of therapeutics. For example, researchers can predict an antibody’s formulation properties and suggest mutations to improve them rapidly and at low cost compared to laboratory experimentation alone. BIOVIA Discovery Studio offers a rich set of tools to help guide the design of biotherapeutics, allowing teams to optimize the performance of candidates in silico and streamlining their physical work.

Model

Automated modeling cascade to easily and rapidly generate high quality 3D antibody full-length, Fab or Fv models from a set of light and heavy antibody chain sequences and a curated PDB antibody template database
Full support for commonly used antibody annotation schemes - IMGT, Chothia, Kabat and Honegger
Simultaneously and independently perform multiple sequence alignments of heavy and light chains
Additional expert tools to identify antibody template structures and build high quality homology models
Ability to build bispecific full length antibody structures
Refine CDR loops using either template, loop grafting or de novo loop modeling
Perform detailed model analysis