Antibody engineering: CEA project wins Sanofi award

For the past several years, Institut Joliot (CEA Saclay) and Irig have been working together to combine their Polaris(MD) multi-scale molecular simulation and BigDFT massively parallel quantum chemistry codes. Pharmaceutical company Sanofi deemed the project worthy of one of its iTech Awards, and will fund research to apply the approach to an antibody-antigen complex to study the impact of mutations.

Polaris(MD) and BigDFT provide a biologically, chemically, and physically coherent description of this type of molecular complex. Based on the same input data, the two codes can eliminate any uncertainties associated with the choices made during the modeling process. The analysis focuses on observable phenomena and their variability.

Contact: luigi.genovese@cea.fr

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