Structural modeling extends QSAR analysis of antibody-lysozyme interactions to 3D-QSAR.

ABSTRACT: This work shows that quantitative multivariate modeling is an emerging possibility for unraveling protein-protein interactions using a combination of designed mutations with sequence and structure information. Using this approach, it is possible to stereochemically determine which residue properties contribute most to the interaction. This is illustrated by results from modeling of the interaction of the wild-type and 17 single and double mutants of a camel antibody specific for lysozyme. Linear multivariate models describing association and dissociation rates as well as affinity were developed. Sequence information in the form of amino acid property scales was combined with 3D structure information (obtained using molecular mechanics calculations) in the form of coordinates of the alpha-c

SUBMITTER: Freyhult EK 

PROVIDER: S-EPMC1302793 | biostudies-literature | 2003 Apr

REPOSITORIES: biostudies-literature