Algebraic algorithms for structure determination in biological chemistry

DOI10.1002/qua.20703zbMath1188.68361OpenAlexW2133184482WikidataQ57425746 ScholiaQ57425746MaRDI QIDQ3566850

Epaminondas D. Fritzilas, Ioannis Z. Emiris, Dinesh Manocha

Publication date: 10 June 2010

Published in: International Journal of Quantum Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1002/qua.20703

zbMATH Keywords

molecular conformationgeometric constraintalgebraic algorithmsymbolic-numerical methodpharmacophore

Mathematics Subject Classification ID

Symbolic computation and algebraic computation (68W30) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10) Computational methods for problems pertaining to biology (92-08)

Related Items

A numerical elimination method for polynomial computations, Regularization and Matrix Computation in Numerical Polynomial Algebra

Uses Software

• LAPACK

Cites Work

• Solving polynomial equations. Foundations, algorithms, and applications
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