Applying PyRosetta molecular energies to separate properly oriented protein models from mirror models, obtained from contact maps
نویسندگان
چکیده
منابع مشابه
Applying PyRosetta molecular energies to separate properly oriented protein models from mirror models, obtained from contact maps
Reconstructing protein structure based on contact maps leads to two types of models: properly oriented models and mirror models. This is due to the fact that contact maps do not include information on protein chirality. Therefore, both types of model orientations share the same contact map and are geometrically allowed. In this work, we verified the hypothesis that some of the energy terms calc...
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متن کاملRecovery of protein structure from contact maps.
BACKGROUND Prediction of a protein's structure from its amino acid sequence is a key issue in molecular biology. While dynamics, performed in the space of two-dimensional contact maps, eases the necessary conformational search, it may also lead to maps that do not correspond to any real three-dimensional structure. To remedy this, an efficient procedure is needed to reconstruct three-dimensiona...
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ژورنال
عنوان ژورنال: Journal of Molecular Modeling
سال: 2016
ISSN: 1610-2940,0948-5023
DOI: 10.1007/s00894-016-2975-3