The “Dead-End Elimination” Theorem: A New Approach to the Side-Chain Packing Problem
作者： Johan Desmet , Marc De Maeyer , Ignace Lasters
DOI: 10.1007/978-1-4684-6831-1_10
关键词: A priori and a posteriori 、 Packing problems 、 Combinatorics 、 Accessible surface area 、 Side chain 、 Discrete mathematics 、 Structure (category theory) 、 Homology modeling 、 Dead-end elimination 、 Protein tertiary structure 、 Mathematics
摘要: The prediction of a protein’s tertiary structure is still computationally infeasible, mainly because the huge number priori possible global conformations. side-chain conformations that are attached to given, fixed main-chain considered as less complex but important subproblem with applications to, for instance, homology modeling (Lee and Subbiah, 1991). Nevertheless, determination minimum energy conformation (GMEC) set protein side chains was up now limited small, densely packed units (Ponder Richards, 1987; Lee Levitt,
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