Embedding Dynamics in Intrinsic Physicochemical Profiles of Market-Stage Antibody-Based Biotherapeutics
Giuseppe Licari, Kyle Martin, Maureen Crames, Joseph Mozdzierz, Michael S. Marlow, Anne R. Karow‐Zwick, Sandeep Kumar, Joschka Bauer
Abstract
(37), e2020577118), the hydrodynamic radius and the protein strand ratio are introduced as two additional descriptors that enable a more comprehensive in silico characterization of biotherapeutic drug candidates. Test cases show how this approach can facilitate identification and optimization of intrinsically developable lead candidates. DENIS represents an advanced computational tool to progress biotherapeutic drug candidates from discovery into early development by predicting drug properties in different aqueous environments.
Topics & Concepts
In silicoMolecular dynamicsChemistryComputational biologyHomology modelingComputer scienceBiological systemBiochemical engineeringComputational chemistryBiochemistryBiologyEngineeringEnzymeGeneMonoclonal and Polyclonal Antibodies ResearchProtein purification and stabilityViral Infectious Diseases and Gene Expression in Insects