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glycan_torsion_angles.nc

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DataCite Commons2020-08-25 更新2024-08-18 收录
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Torsion angles <i>phi</i> and <i>psi</i> are critical for determining the three dimensional structures of bio-molecules. Combinations of phi and psi torsion angles that produce clashes between atoms in the bio-molecule result in high energy, unlikely structures. <br><br>This model uses a Von Mises distribution to propose torsion angles for the structure of a glycan molecule (pdb id: 2LIQ), and a Potential to estimate the proposed structures energy. Said Potential is bound by Boltzman's law.<br>

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figshare
创建时间:
2020-06-03
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