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Improved coordinate reconstruction from stereo diagrams
Institution:1. Department of Pharmaceutics, Shandong Cancer Hospital and Institute, Shandong First Medical University and Shandong Academy of Medical Sciences, Jinan 250117, China;2. Shandong Academy of Traditional Chinese Medicine, Jinan 250014, China;3. State Key Laboratory of Bioactive Substance and Function of Natural Medicines, Institute of Materia Medica, Chinese Academy of Medical Sciences and Peking Union Medical College, Beijing 100050, China;4. Department of Medical Oncology, Shandong Cancer Hospital and Institute, Shandong First Medical University and Shandong Academy of Medical Sciences, Jinan 250117, China;1. Department of Chemistry & Chemical Biology, University of New Mexico, MSC03-2060, 1 UNM, Albuquerque, NM, 87131, USA;2. Beijing Key Laboratory of Green Catalysis and Separation, Department of Chemistry and Chemical Engineering, School of Environmental and Energy, Beijing University of Technology, Beijing, PR China;1. Polymer Science and Technology Directorate, Naval Materials Research Laboratory (DRDO), Shil-Badlapur Road, Anand Nagar P.O., Ambernath (E)- 421506, India;2. Laboratory for Advanced Research in Polymeric Materials, CIPET, Bhubaneswar-751024, Odisha, India;3. Radiochemistry Division, Bhabha Atomic Research Centre, Mumbai-400085, Maharashtra, India
Abstract:A program has been written that reconstructs three-dimensional coordinates for a protein structure given a stereo Cα diagram. Initial three-dimensional coordinates are determined using an algorithm similar to the one used by Rossmann in the program STEREO. Thereafter the coordinates are refined such that the stereo image based on the reconstructed three-dimensional coordinates optimally fits the scanned stereo image while normal Cα stereochemistry is enforced.
Keywords:
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