A Coarse-grained, Context-dependent Contact Potential for Protein Decoy Discrimination
نویسنده
چکیده
Knowledge-based contact potentials have been popularly used in protein structure modeling. In this paper, we present a coarse-grained, context-dependent contact potential where the influences on inter-residue contacts from neighboring residues are taken into account. In particular, statistics of singlet-singlet, singlet-doublet, singlet-triplet, and doublet-doublet interactions are derived from known protein structures and then incorporated into the context-dependent contact potential. We use the Rosetta decoy set to test our context-dependent contact potential. In more than 83% targets, the context-dependent contact potential is able to successfully differentiate the near-native structures from the other decoys. The context-dependent contact potential yields comparable accuracy to the finegrained contact potentials, but does not require all atoms information, which is particularly suitable for coarsegrained protein structure modeling and design.
منابع مشابه
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