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As part of the drug discovery process, computational chemistry is constantly evolving and adapting to meet the latest scientific challenges and business demands. An approach to computational drug discovery that is both flexible and adaptable is essential. This talk highlights the developing trends in computational chemistry and biology with an emphasis on demonstrating innovative and routine workflows in structure-based design and biotherapeutics projects. Examples include how best to leverage experimental X-ray data to gain insight for structure based drug design and making most of the PDB data. Given the increased interest in protein therapeutics, examples will also be given for protein engineering and for methods in building antibody framework structures and predicting the antibody-antigen binding interfaces.