Scoring functions for docking

<p>In the fields of <a href="/facts/Computational_chemistry/KyuCgRV3">computational chemistry</a> and <a href="/facts/Molecular_modelling/bc80hbtm">molecular modelling</a>, scoring functions are <a href="/facts/Function_(mathematics)/CdReEKCh">mathematical functions</a> used to approximately predict the <a href="/facts/Binding_(molecular)/cBnorUC5">binding</a> <a href="/facts/Dissociation_constant/uvaKXf26">affinity</a> between two molecules after they have been <a href="/facts/Docking_(molecular)/IKzf94wQ">docked</a>.  Most commonly one of the molecules is a <a href="/facts/Small_molecule/kbwq3VBn">small organic compound</a> such as a <a href="/facts/Drug/FFFUI9n4">drug</a> and the second is the drug's biological target such as a <a href="/facts/Protein/Jxmagu3E">protein</a> <a href="/facts/Receptor_(biochemistry)/tjTAC76a">receptor</a>.  Scoring functions have also been developed to predict the strength of <a href="/facts/Intermolecular/xIcFMvL7">intermolecular</a> interactions between two proteins or between protein and <a href="/facts/DNA/nB89Iauz">DNA</a>.
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Scoring functions for docking open-in-new

Scoring functions for docking