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	<title>Quantum Pharmaceuticals &#187; scoring</title>
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	<description>The drug discovery company</description>
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		<title>Docking selectivity: Additive vs. non-additive force field</title>
		<link>http://q-pharm.com/2007/04/docking-selectivity-additive-vs-non-additive-force-field/</link>
		<comments>http://q-pharm.com/2007/04/docking-selectivity-additive-vs-non-additive-force-field/#comments</comments>
		<pubDate>Thu, 19 Apr 2007 14:03:00 +0000</pubDate>
		<dc:creator>fedichev</dc:creator>
				<category><![CDATA[IC50]]></category>
		<category><![CDATA[docking]]></category>
		<category><![CDATA[scoring]]></category>
		<category><![CDATA[selectivity]]></category>

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		<description><![CDATA[The free binding energy (F) of a small molecule and a protein is a non-additive complex function of individual interatomic interactions. There are two major contributing quantities leading to non-additivity in F: the electrostatic energy, and the entropy. A common approach to molecular docking is...


Related posts:<ol><li><a href='http://q-pharm.com/2007/05/quantum-free-energy-vs-statistical-scoring-functions/' rel='bookmark' title='Permanent Link: QUANTUM free energy vs. statistical scoring functions'>QUANTUM free energy vs. statistical scoring functions</a></li>
<li><a href='http://q-pharm.com/2008/05/protein-flexibility-and-false-positives-detection/' rel='bookmark' title='Permanent Link: Protein Flexibility and False Positives detection.'>Protein Flexibility and False Positives detection.</a></li>
<li><a href='http://q-pharm.com/2008/06/docking-validation-study-pdk1-kinase-oncology/' rel='bookmark' title='Permanent Link: Docking validation study: PDK1-kinase (oncology)'>Docking validation study: PDK1-kinase (oncology)</a></li>
<li><a href='http://q-pharm.com/2007/01/what-makes-a-correct-binding-energy-calculation/' rel='bookmark' title='Permanent Link: What makes a correct binding energy calculation?'>What makes a correct binding energy calculation?</a></li>
<li><a href='http://q-pharm.com/2008/06/docking-validation-study-classic-example-thrombine/' rel='bookmark' title='Permanent Link: Docking validation study: classic example, thrombine'>Docking validation study: classic example, thrombine</a></li>
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Related posts brought to you by <a href='http://mitcho.com/code/yarpp/'>Yet Another Related Posts Plugin</a>.]]></description>
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