Accession Number : ADA262364


Title :   Molecular Recognition in Antibody/Antigen Complexes


Descriptive Note : Final progress rept. 1 Jul 89-31 May 92


Corporate Author : HOUSTON UNIV TX


Personal Author(s) : Willson, Richard C ; McCammon, J A


Full Text : https://apps.dtic.mil/dtic/tr/fulltext/u2/a262364.pdf


Report Date : 08 Mar 1993


Pagination or Media Count : 6


Abstract : The objectives of this project were to characterize the structural features and intermolecular forces governing affinity and selectivity in an antibody-antigen complex of known structure, and to improve methods of simulation of protein- protein interactions. The antilysozyme antibody HyHEL-10, for which the structure of the complex with antigen is known by crystallography, was used as the primary model system. Theory and modeling efforts have included: analysis of the effects of mutations on the free energy of HyHEL-10/lysozyme binding; prediction of the conformations of antibody hypervariable loops based on primary sequence data; and fundamental studies of biomolecular electrostatic interactions in solution, including the development of tools for modeling electrostatically-mediated diffusional encounter. Experimental efforts have focused on development of recombinant expression systems for the lysozyme antigen and for the Fab fragment of the HyHEL-10 antibody, for mutagenic perturbation of key intermolecular contacts and development of biophysical methods of determining thermodynamic driving forces and effects of mutation on affinity and specificity.


Descriptors :   *SIMULATION , *DYNAMICS , *ANTIBODIES , *ANTIGENS , PREDICTIONS , MODELS , INTERACTIONS , TOOLS , THERMODYNAMICS , PROTEINS , THEORY , ENERGY , STRUCTURES , MUTATIONS , SEQUENCES , RECOGNITION , PERTURBATIONS , MOLECULAR BIOLOGY , LOOPS , MOLECULAR PROPERTIES , FREE ENERGY , ELECTROSTATICS , FRAGMENTS , CRYSTALLOGRAPHY , MURAMIDASE


Subject Categories : Pharmacology
      Physical Chemistry
      Biomedical Instrumentation and Bioengineering


Distribution Statement : APPROVED FOR PUBLIC RELEASE