A Novel High Resolution Cα-Cα Distance Dependent Force Field Based On A High Quality Decoy Set
نویسندگان
چکیده
This work presents a novel C-C distance dependent force field which is successful in selecting native structures from an ensemble of high resolution near-native conformers. An enhanced and diverse protein set, along with an improved decoy generation technique, contributes to the effectiveness of this potential. High quality decoys (structures with low root mean square deviation with respect to the native; see Tables V-VIII) were generated for 1489 non-homologous proteins and used to train an optimization based linear programming formulation. The goal in developing a set of high resolution decoys was to develop a simple, distance-dependent force field that yields the ∗Author to whom all correspondence should be addressed; Tel: +1-609-258-4595; Fax: +1-609-258-0211. E-mail : [email protected]
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