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Generating Conformational Transitions Using the Euclidean Distance Matrix

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Details: Category: Women in Engineering Magazine; By MTech Projects; 15.May; Hits: 44

PROJECT TITLE :

Generating Conformational Transitions Using the Euclidean Distance Matrix

ABSTRACT:

Elastic network interpolation (ENI) is an efficient technique for generating intermediate conformations between 2 finish protein conformations. Its current formulation uses interatomic distance. We show how this could be generalized to interatomic distances-squared. This generalization is part of a trial to review protein dynamics on the set of positive semidefinite (PSD) matrices, that features a wealthy mathematical structure. We have a tendency to use lattice structures to check this interpolation theme, and discuss some limitations observed. We have a tendency to conclude with some suggestions for future analysis.

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