a molecular dynamics force field (CHARMM, AMBER, OPLS/AMBER) a modified ... asymptote k(r-rupper) constant force. More Energy Terms. The Result a Bundle ...
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Starting at an amide proton (H) the magnetization is transferred to the directly ... transferred back the same way to the amide proton which is measured as the third ...
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A network of distance constraints between anonymous atoms is sufficient to ... Bayesian approach generates assignments from clouds using Monte-Carlo sampling ...
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NMR structure calculation * Most favored regions (%) 88.8 Additionally allowed regions (%) 10.7 Generously allowed regions (%) 0.5 Disallowed regions ...
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Molecular Modeling Techniques are a Critical Component of Determining a Protein ... determines magnitude of function (force constant) typically 20-50 kcal/mole ...