Abstract
This is the overview of an ongoing molecular dynamics study of an antigen-antibody complex, which includes the dynamics of the complex in the crystal state and in solution, the study of its hydration structure, the dynamics and thermodynamics of dissociation of the complex into its components, together with the computation of the effect of a point mutation on the equilibrium constant. Methods and problems will be emphasized rather than results. Most of the work described is to be published shortly, and proper references to papers submitted or to be submitted will be given.
Université Paul Sabatier, and Unité Associée 505 of the C.N.R.S.
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Durup, J., Alary, F., Sanejouand, YH. (1994). Molecular Dynamics Simulation of an Antigen-Antibody Complex: Hydration Structure and Dissociation Dynamics. In: Doniach, S. (eds) Statistical Mechanics, Protein Structure, and Protein Substrate Interactions. NATO ASI Series, vol 325. Springer, Boston, MA. https://doi.org/10.1007/978-1-4899-1349-4_29
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DOI: https://doi.org/10.1007/978-1-4899-1349-4_29
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