Since October 2020, Dr. Andreas Evers is working as Computational and Structural Bioinformatician on NBEs at Merck Healthcare KGgaA. He obtained his PhD in Computational Chemistry with Prof. Gerhard Klebe at Philipps University of Marburg in 2000. He joined Sanofi in 2003, first working in the area of Computer Aided Drug Design on “small molecule” projects and later on therapeutic peptides and proteins. His research activities include implementation and application of in silico approaches to design new molecules with the desired target activity and developability properties.
We have implemented a pipeline for Machine Learning (ML) model generation and property prediction for antibodies/VHHs to evaluate sequences and 3D structures/models with regard to their diversity and developability properties, such as liabilities, Post-Translational Modifications (PTMs), immunogenicity risks, pharmacokinetics (PK) properties and compatibilities with formulations. This pipeline does not only allow to select sequences from high-throughput screening approaches, but is also utilized for sequence optimization towards the desired overall developability profile