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Novel in silico Prediction Algorithms for the Design of Stable Biologics

Francisco Hernandez-Guzman, Sr. Product Manager, Life Sciences - Accelrys

11:50 am - Friday, May 3rd
Protein Aggregation and Stability in Biopharmaceuticals Stream

Abstract: Understanding protein aggregation and the effects of mutation on protein stability and protein binding affinity is an important component of successful protein design, especially for the area of protein therapeutics.  In silico approaches to identify sites responsible for protein aggregation, coupled with tools to predict the effects of amino acid mutations is an effective tool to guide experimental design and help reduce the cost of bringing therapeutics to market.   We have implemented and validated several novel methods for: 1) identifying sites responsible for protein aggregation, 2) performing fast computational mutagenesis of proteins to calculate the energy effect of mutation on protein stability, and 3) estimating protein-protein binding affinity with an optional pH dependency calculation. We will briefly present these methods and their applications in the context of antibody design.


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