Derivation and testing of explicit equations of motion for polymers described by internal coordinates
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Publication:923010
DOI10.1016/0021-9991(91)90210-CzbMath0711.92024MaRDI QIDQ923010
Ruben A. Abagyan, V. E. Dorofeyev, Alexey K. Mazur
Publication date: 1991
Published in: Journal of Computational Physics (Search for Journal in Brave)
Lagrange equations; torsion angles; alpha-helical conformation; bond lengths; oligopeptide; simulating molecular dynamics of large molecules; system of polymeric molecules; valence angles
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