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Sotirios I. Pantos and Ekaterini Tiligada Protein backbone structure determination using RDC: An inverse kinematics approach with fast and exact solutions International Journal of Quantum Chemistry 113

Version of Record online: 22 MAY 2012 | DOI: 10.1002/qua.24166

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Most of the existing computational methods for protein structure determination with nuclear magnetic resonace (NMR) rely on stochastic and heuristic protocols overlooking the fast analytic-type algebraic methods as unrealistic alternates. An algebraic methodology is here introduced to reinforce this alternate point of view as realistic and effective. A unified and efficient methodology that reduces the computations of protein backbone conformation to a problem of robust, easily soluble, linear and nonlinear equation solving is introduced.

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