Proteins computational design approaches

De novo design approaches computationally generate virtual molecules based on protein active sites or simply just de noco-designed molecules [39]. 

M. J. Sippl. Boltzmanris principle, knowledge-based mean fields and protein folding. An approach to the computational determination of protein structures. Journal of Computer-Aided Molecular Design, 7 474-501, 1993. 

A new approach to protein engineering is computational design. This method provides a wider range of gaining new active enzymes via the access to structures. 

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