Development of human-machine language interfaces for the visual analysis of complex biologics and RNA modalities and associated experimental data

Abstract

Abstract The advent of recombinant protein-based therapeutic agents in the 1980s and subsequent waves of innovation in molecular biology and engineering of biologics has permitted the production of an increasingly broad array of complex, high molecular weight constructs. While this has opened a powerful new toolbox of molecular scaffolds with which to probe and interdict biological processes, it also makes deciphering the architectural nuances between individual constructs intuitively difficult. Key to downstream data processes for the detection of data trends is the ability to unambiguously identify, compare, and communicate the nature of molecular compositions. Existing small molecule orientated software tools are not intended for structures such as peptides, proteins, antibodies, and RNA, and do not contain adequate atomistic or domain-level detail to appropriately convey their higher structural complexity. Similarly, there is a paucity of large molecule-focused data analysis and visualization tools. This article will describe four new approaches we developed for the graphical representation and analysis of complex large molecules and experimental data. These tools help fulfill key needs in scientific communication and structure-property analysis of complex biologics and modified oligonucleotide-based drug candidates.

Keywords

• Protein engineering
• Biotherapeutics
• Oligonucleotides
• Peptides
• RNA drugs
• Antibodies