Abstract
The prediction of a protein’s tertiary structure is still computationally infeasible, mainly because of the huge number of a priori possible global conformations. The prediction of side-chain conformations that are attached to a given, fixed main-chain structure is considered as a less complex but still important subproblem with applications to, for instance, homology modeling (Lee and Subbiah, 1991). Nevertheless, the determination of the global minimum energy conformation (GMEC) of a set of protein side chains was up to now still limited to small, densely packed units (Ponder and Richards, 1987; Lee and Levitt, 1991).
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Desmet, J., De Maeyer, M., Lasters, I. (1994). The “Dead-End Elimination” Theorem: A New Approach to the Side-Chain Packing Problem. In: Merz, K.M., Le Grand, S.M. (eds) The Protein Folding Problem and Tertiary Structure Prediction. Birkhäuser Boston. https://doi.org/10.1007/978-1-4684-6831-1_10
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DOI: https://doi.org/10.1007/978-1-4684-6831-1_10
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