Methods of Crystal and Molecular Structure Determination
{'Code': '03090004', 'Directorate': {'Abbreviation': 'MPS', 'LongName': 'Direct For Mathematical & Physical Scien'}, 'Division': {'Abbreviation': 'CHE', 'LongName': 'Division Of Chemistry'}}
{'SignBlockName': 'Richard Hilderbrandt', 'PO_EMAI': None, 'PO_PHON': None}
Dr. Herbert Hauptman is supported by a grant from The                           Theoretical and Computational Chemistry Program to continue his                 work in the application of direct methods to the solution of                    protein crystal structures.  The direct method techniques have                  been very successful in solving the difficult "phase problem"                   associated with the determination of X-ray crystal structures                   of small and medium sized molecules.  The current approach                      being used by Hauptman and coworkers attempts to combine this                   powerful method with other currently used techniques to assist                  in the determination of crystal structures for proteins.  A                     potential benefit of the proposed research is a rapid and                       routine technique for the determination of 3 dimensional                        structures of large enzyme structures.  A more detailed                         understanding of enzyme structure and function is the first                     step in designing drugs to treat many infectious diseases.                                                                                                      Drs. Herbert Hauptman and Jerome Karle received the 1985 Nobel                  Prize in Chemistry for their contributions to the development                   of the direct method for solving the phase problem in X-ray                     crystallography.  This method is now used routinely throughout                  the world for automated solution of X-ray crystal structures of                 small and medium sized molecules.  Hauptman's current research                  attempts to combine direct methods with other current phasing                   techniques such as isomorphous replacement and anomalous                        dispersion in order to develop a more powerful tool for solving                 crystal structures of biologically important macromolecular                     species.
{'FirstName': 'Herbert', 'LastName': 'Hauptman', 'PI_MID_INIT': 'A', 'PI_SUFX_NAME': None, 'PI_FULL_NAME': 'Herbert A Hauptman', 'EmailAddress': 'hauptman@hwi.buffalo.edu', 'NSF_ID': '000264553', 'StartDate': '04/15/1989', 'EndDate': None, 'RoleCode': 'Principal Investigator'}
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{'Code': '1956', 'Text': 'STATISTICAL AND SIMULATIONS'}
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