Path Integral Studies of Electron and Hole Tunneling in     Proteins
{'Code': '08070400', 'Directorate': {'LongName': 'Direct For Biological Sciences'}, 'Division': {'LongName': 'Div Of Molecular and Cellular Bioscience'}}
{'SignBlockName': 'Arthur Kowalsky'}
The complexity of the structure and reactivity of the folded                    protein molecule presents a formidable challenge to                             theoretical analysis.  Theoretical research in protein                          chemistry must respond to this challenge in two ways.  First,                   tools must be developed for inquiry specifically designed for                   the complex, three-dimensional, inhomogeneous and aperiodic                     nature of protein structures.  Secondly, new theories must be                   forged which realistically treat specific proteins currently                    under experimental investigation and which will provide results                 which biochemists and biophysicists can use.                                                                                                                    Dr. Kuki will apply path integral Monte Carlo techniques to                     the quantitative analysis of electron transfer interactions                     in proteins and protein complexes.  Electron transfer                           proteins are crucial components of many bioenergetic pathways                   in oxidative phosphorylation and photosynthesis.  He will                       develop new theoretical procedures based upon path splicing                     algorithms, combining density functional theory and quantum                     path integrals, and pseudopotentials specifically designed                      for hole-mediated tunneling as well as electron-mediated                        tunneling.
{'FirstName': 'Atsuo', 'LastName': 'Kuki', 'EmailAddress': None, 'StartDate': '04/01/1988', 'EndDate': None, 'RoleCode': 'Principal Investigator'}
{'Name': 'Cornell University', 'CityName': 'Ithaca', 'ZipCode': '148502820', 'PhoneNumber': '6072555014', 'StreetAddress': '373 Pine Tree Road', 'CountryName': 'United States', 'StateName': 'New York', 'StateCode': 'NY'}
[{'Code': '1144', 'Text': 'Molecular Biophysics'}, {'Code': '9120', 'Text': 'CROSS-DIRECTORATE PROGRAMS'}]
{'url': 'https://www.nsf.gov/awardsearch/download?DownloadFileName=1987&All=true', 'xml': '8717673.xml'}