Mos.    Gund                    Techniques to Search Confor ational Space for Cholinergic   Ligands
{'Code': '08090200', 'Directorate': {'Abbreviation': 'BIO', 'LongName': 'Direct For Biological Sciences'}, 'Division': {'Abbreviation': 'IOS', 'LongName': 'Division Of Integrative Organismal Systems'}}
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The acetylcholine receptor is a representative of a large class                 of membrane proteins responsible for the electrical activity of                 the nervous system.  The receptor is involved in many                           biologically important processes, such as regulation of sleep,                  memory and learning processes.  Understanding the structure and                 function of the receptor as well as being able to predict active                ligands will greatly further our understanding of these important               biological molecules.                                                                                                                                           Dr. Gund proposes to develop a computational method to                          systematically survey molecular conformations for large molecules               with many degrees of conformational freedom for the CYBER 205                   vector supercomputer.  She will then relay information from the                 conformational calculations as well as from molecular dynamics                  calculations on the CYBER in real time to a VAX based molecular                 modeling system for further interactive manipulations. Other                    objectives will involve relaying information from ab initio and                 molecular mechanics calculations to a VAX based molecular                       modeling system.                                                                                                                                                The applications of these objectives will be to determine the                   bioactive conformations of cholinergic ligands including                        polypeptides, receptor mapping, calculation of conformational                   states of receptor-ligand bound and unbound complexes, and                      design of new ligands which would explore the topography and                    mechanism of receptor-ligand binding.
{'FirstName': 'Tamara', 'LastName': 'Gund', 'PI_MID_INIT': None, 'PI_SUFX_NAME': None, 'PI_FULL_NAME': 'Tamara Gund', 'EmailAddress': 'gund@adm.njit', 'NSF_ID': '000195946', 'StartDate': '07/01/1987', 'EndDate': None, 'RoleCode': 'Principal Investigator'}
{'Name': 'New Jersey Institute of Technology', 'CityName': 'NEWARK', 'ZipCode': '071021824', 'PhoneNumber': '9735965275', 'StreetAddress': '323 DR MARTIN LUTHER KING JR BLV', 'StreetAddress2': None, 'CountryName': 'United States', 'StateName': 'New Jersey', 'StateCode': 'NJ', 'CONGRESSDISTRICT': '10', 'CONGRESS_DISTRICT_ORG': 'NJ10', 'ORG_UEI_NUM': 'SGBMHQ7VXNH5', 'ORG_LGL_BUS_NAME': 'NEW JERSEY INSTITUTE OF TECHNOLOGY', 'ORG_PRNT_UEI_NUM': None}
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