![]() Understanding the structure and function of proteins requires an accurate potential energy function to quantify interactions between residues or atoms. ![]() The results show that ROTAS performs better than other competing potentials not only in native structure recognition, but also in best model selection and correlation coefficients between energy and model quality. The performance of ROTAS was tested using 13 sets of decoys and was compared to those of existing atomic-level statistical potentials which incorporate orientation-dependent energy terms. Such rotamer-dependencies are not limited to specific type or certain range of interactions. ![]() It was clearly found that the rotameric state is correlated to the specificity of atomic interactions. In this potential, named “rotamer-dependent atomic statistical potential” (ROTAS), the interaction between two atoms is specified by not only the distance and relative orientation but also by two state parameters concerning the rotameric state of the residues to which the interacting atoms belong. In this study, we develop a new multibody statistical potential which can account for the influence of rotameric states on the specificity of atomic interactions.
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