Computational Center for Macromolecular Structure
{'Code': '08080205', 'Directorate': {'Abbreviation': 'BIO', 'LongName': 'Direct For Biological Sciences'}, 'Division': {'Abbreviation': 'DBI', 'LongName': 'Div Of Biological Infrastructure'}}
{'SignBlockName': 'David Schindel', 'PO_EMAI': None, 'PO_PHON': None}
Major advances in the understanding of macromolecular structure                 have come directly from advances in computation and computer                    graphics and from the development of methods that have enhanced                 collection of X-ray crystallographic data.  This award will                     support a collaborative effort to solve major problems in                       crystallographic refinement and computer graphics analysis of                   macromolecular structure using the combined unique resources                    available at the San Diego Supercomputer Center (SDSC), the                     University of California at San Diego (UCSD), and the Research                  Institute of Scripps Clinic (RISC).  Each institution has                       outstanding strengths in aspects of crystallography, molecular                  dynamics, graphics, and computation.  In Crystallography, the                   group expects to decrease the time required to refine a structure               from years to months, and to substantially improve the accuracy                 of the refinement.  Tightly coupling supercomputer calculations                 on the CRAY with visualization of the calculation on a graphics                 workstation will allow the design and testing of novel molecular                modeling algorithms.  Algorithm design will be driven and tested                by specific structural problems requiring the analysis of                       folding, shape, flexibility, and electrostatic forces as well as                the prediction of interaction complexes.  This project will                     provide a set of integrated software tools that will result in                  advances in structure determination and refinement, and in                      structural interpretation, modeling, and design.  The intention                 is to develop a facility that can be widely used by the                         scientific community as a whole.  This project should have a                    major impact on the efficient use of supercomputer calculations                 for structural molecular biology and molecular graphics.
[{'FirstName': 'Gordon', 'LastName': 'Gill', 'PI_MID_INIT': 'N', 'PI_SUFX_NAME': None, 'PI_FULL_NAME': 'Gordon N Gill', 'EmailAddress': None, 'NSF_ID': '000353059', 'StartDate': '02/01/1990', 'EndDate': None, 'RoleCode': 'Co-Principal Investigator'}, {'FirstName': 'Janusz', 'LastName': 'Sowadski', 'PI_MID_INIT': 'M', 'PI_SUFX_NAME': None, 'PI_FULL_NAME': 'Janusz M Sowadski', 'EmailAddress': None, 'NSF_ID': '000240467', 'StartDate': '02/01/1990', 'EndDate': None, 'RoleCode': 'Co-Principal Investigator'}, {'FirstName': 'Joseph', 'LastName': 'Kraut', 'PI_MID_INIT': None, 'PI_SUFX_NAME': None, 'PI_FULL_NAME': 'Joseph Kraut', 'EmailAddress': None, 'NSF_ID': '000157867', 'StartDate': '02/01/1990', 'EndDate': None, 'RoleCode': 'Co-Principal Investigator'}, {'FirstName': 'Susan', 'LastName': 'Taylor', 'PI_MID_INIT': 'S', 'PI_SUFX_NAME': None, 'PI_FULL_NAME': 'Susan S Taylor', 'EmailAddress': 'staylor@ucsd.edu', 'NSF_ID': '000278751', 'StartDate': '02/01/1990', 'EndDate': None, 'RoleCode': 'Principal Investigator'}, {'FirstName': 'Nguyen-huu', 'LastName': 'Xuong', 'PI_MID_INIT': None, 'PI_SUFX_NAME': None, 'PI_FULL_NAME': 'Nguyen-huu Xuong', 'EmailAddress': 'nxong@ucsd.edu', 'NSF_ID': '000463478', 'StartDate': '02/01/1990', 'EndDate': None, 'RoleCode': 'Co-Principal Investigator'}]
{'Name': 'University of California-San Diego', 'CityName': 'LA JOLLA', 'ZipCode': '920930021', 'PhoneNumber': '8585344896', 'StreetAddress': '9500 GILMAN DR', 'StreetAddress2': None, 'CountryName': 'United States', 'StateName': 'California', 'StateCode': 'CA', 'CONGRESSDISTRICT': '50', 'CONGRESS_DISTRICT_ORG': 'CA50', 'ORG_UEI_NUM': 'UYTTZT6G9DT1', 'ORG_LGL_BUS_NAME': 'UNIVERSITY OF CALIFORNIA, SAN DIEGO', 'ORG_PRNT_UEI_NUM': None}
{'Name': 'University of California-San Diego', 'CityName': 'LA JOLLA', 'StateCode': 'CA', 'ZipCode': '920930021', 'StreetAddress': '9500 GILMAN DR', 'CountryCode': 'US', 'CountryName': 'United States', 'StateName': 'California', 'CountryFlag': '1', 'CONGRESSDISTRICT': '50', 'CONGRESS_DISTRICT_PERF': 'CA50'}
{'Code': '1107', 'Text': 'COMPUTATIONAL BIOLOGY ACTIVITI'}
{'url': 'https://www.nsf.gov/awardsearch/download?DownloadFileName=1988&All=true', 'xml': '8822385.xml'}