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	<title>Quantum Discovery Labs &#187; HERG</title>
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	<description>The drug discovery company</description>
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		<title>Does hERG binding correlate with LogP?</title>
		<link>http://q-pharm.com/2009/06/herg-binding-correlates-with-logp/</link>
		<comments>http://q-pharm.com/2009/06/herg-binding-correlates-with-logp/#comments</comments>
		<pubDate>Sat, 20 Jun 2009 08:18:00 +0000</pubDate>
		<dc:creator>fedichev</dc:creator>
				<category><![CDATA[HERG]]></category>

		<guid isPermaLink="false">http://q-pharm.com/?p=54</guid>
		<description><![CDATA[Here is a very good analysis from human ERG blockers article:
The plot below (created usingVortex)shows pIC50 calculated from the            [...]


Related posts:<ol><li><a href='http://q-pharm.com/2008/01/herg-binding-prediction-quality-q-herg-model-vs-experiments/' rel='bookmark' title='HERG binding prediction quality: q-HERG model vs. experiments'>HERG binding prediction quality: q-HERG model vs. experiments</a></li>
<li><a href='http://q-pharm.com/2008/10/q-herg-quantums-innovative-approach-to-herg-binding-calculations-is-updated-to-v-2-0/' rel='bookmark' title='q-hERG: QUANTUM&#8217;s innovative approach to hERG binding calculations is updated to v 2.0'>q-hERG: QUANTUM&#8217;s innovative approach to hERG binding calculations is updated to v 2.0</a></li>
<li><a href='http://q-pharm.com/2008/01/q-herg-quantums-innovative-approach-to-herg-binding-calculations-is-finally-released/' rel='bookmark' title='q-hERG: QUANTUM&#8217;s innovative approach to hERG binding calculations is finally released'>q-hERG: QUANTUM&#8217;s innovative approach to hERG binding calculations is finally released</a></li>
<li><a href='http://q-pharm.com/2007/12/how-good-are-biological-experiments-herg-binding-data-analysis/' rel='bookmark' title='How good are biological experiments? HERG binding data analysis'>How good are biological experiments? HERG binding data analysis</a></li>
<li><a href='http://q-pharm.com/quantum-discovery-services/681-2/' rel='bookmark' title='LogP and LogD calculation'>LogP and LogD calculation</a></li>
</ol>

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		<wfw:commentRss>http://q-pharm.com/2009/06/herg-binding-correlates-with-logp/feed/</wfw:commentRss>
		<slash:comments>2</slash:comments>
		</item>
		<item>
		<title>q-hERG: QUANTUM&#8217;s innovative approach to hERG binding calculations is updated to v 2.0</title>
		<link>http://q-pharm.com/2008/10/q-herg-quantums-innovative-approach-to-herg-binding-calculations-is-updated-to-v-2-0/</link>
		<comments>http://q-pharm.com/2008/10/q-herg-quantums-innovative-approach-to-herg-binding-calculations-is-updated-to-v-2-0/#comments</comments>
		<pubDate>Fri, 10 Oct 2008 07:16:00 +0000</pubDate>
		<dc:creator>fedichev</dc:creator>
				<category><![CDATA[HERG]]></category>

		<guid isPermaLink="false">http://q-pharm.com/?p=41</guid>
		<description><![CDATA[Quantum Pharmaceuticals, the owner of this blog, is proud to release version 2.0 of its innovativ HERG protein binding prediction software.

QUANTUM hERG (q-hERG) screening assays is a unique and innovative [...]


Related posts:<ol><li><a href='http://q-pharm.com/2008/01/q-herg-quantums-innovative-approach-to-herg-binding-calculations-is-finally-released/' rel='bookmark' title='q-hERG: QUANTUM&#8217;s innovative approach to hERG binding calculations is finally released'>q-hERG: QUANTUM&#8217;s innovative approach to hERG binding calculations is finally released</a></li>
<li><a href='http://q-pharm.com/2008/01/herg-binding-prediction-quality-q-herg-model-vs-experiments/' rel='bookmark' title='HERG binding prediction quality: q-HERG model vs. experiments'>HERG binding prediction quality: q-HERG model vs. experiments</a></li>
<li><a href='http://q-pharm.com/2009/06/herg-binding-correlates-with-logp/' rel='bookmark' title='Does hERG binding correlate with LogP?'>Does hERG binding correlate with LogP?</a></li>
<li><a href='http://q-pharm.com/2007/09/quantum-and-albumin-binding-calculations-the-role-of-protein-flexibility/' rel='bookmark' title='QUANTUM and HSA binding calculations: the role of protein flexibility'>QUANTUM and HSA binding calculations: the role of protein flexibility</a></li>
<li><a href='http://q-pharm.com/2007/12/how-good-are-biological-experiments-herg-binding-data-analysis/' rel='bookmark' title='How good are biological experiments? HERG binding data analysis'>How good are biological experiments? HERG binding data analysis</a></li>
</ol>

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		<slash:comments>0</slash:comments>
		</item>
		<item>
		<title>q-hERG: QUANTUM&#8217;s innovative approach to hERG binding calculations is finally released</title>
		<link>http://q-pharm.com/2008/01/q-herg-quantums-innovative-approach-to-herg-binding-calculations-is-finally-released/</link>
		<comments>http://q-pharm.com/2008/01/q-herg-quantums-innovative-approach-to-herg-binding-calculations-is-finally-released/#comments</comments>
		<pubDate>Fri, 18 Jan 2008 09:39:00 +0000</pubDate>
		<dc:creator>fedichev</dc:creator>
				<category><![CDATA[cardiotoxicity]]></category>
		<category><![CDATA[HERG]]></category>
		<category><![CDATA[IC50]]></category>
		<category><![CDATA[Quantum Software]]></category>
		<category><![CDATA[toxicity]]></category>

		<guid isPermaLink="false">http://q-pharm.com/?p=23</guid>
		<description><![CDATA[QUANTUM hERG (q-hERG) screening assays is a unique and innovative computational approach, which allows you to predict  from a molecule structures of compounds their inhibition constants (IC50) for hERG [...]


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<li><a href='http://q-pharm.com/2008/01/herg-binding-prediction-quality-q-herg-model-vs-experiments/' rel='bookmark' title='HERG binding prediction quality: q-HERG model vs. experiments'>HERG binding prediction quality: q-HERG model vs. experiments</a></li>
<li><a href='http://q-pharm.com/2009/06/herg-binding-correlates-with-logp/' rel='bookmark' title='Does hERG binding correlate with LogP?'>Does hERG binding correlate with LogP?</a></li>
<li><a href='http://q-pharm.com/2007/12/how-good-are-biological-experiments-herg-binding-data-analysis/' rel='bookmark' title='How good are biological experiments? HERG binding data analysis'>How good are biological experiments? HERG binding data analysis</a></li>
<li><a href='http://q-pharm.com/2007/09/quantum-and-albumin-binding-calculations-the-role-of-protein-flexibility/' rel='bookmark' title='QUANTUM and HSA binding calculations: the role of protein flexibility'>QUANTUM and HSA binding calculations: the role of protein flexibility</a></li>
</ol>

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		<slash:comments>0</slash:comments>
		</item>
		<item>
		<title>HERG binding prediction quality: q-HERG model vs. experiments</title>
		<link>http://q-pharm.com/2008/01/herg-binding-prediction-quality-q-herg-model-vs-experiments/</link>
		<comments>http://q-pharm.com/2008/01/herg-binding-prediction-quality-q-herg-model-vs-experiments/#comments</comments>
		<pubDate>Fri, 11 Jan 2008 09:59:00 +0000</pubDate>
		<dc:creator>fedichev</dc:creator>
				<category><![CDATA[HERG]]></category>
		<category><![CDATA[IC50]]></category>

		<guid isPermaLink="false">http://q-pharm.com/?p=22</guid>
		<description><![CDATA[Quantum Pharmaceuticals has recently completed development of its in-house HERG-protein binding model. Since there is no 3D structure of HERG-protein available, the calculations envolved a number of fits and model [...]


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<li><a href='http://q-pharm.com/2009/06/herg-binding-correlates-with-logp/' rel='bookmark' title='Does hERG binding correlate with LogP?'>Does hERG binding correlate with LogP?</a></li>
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<li><a href='http://q-pharm.com/2008/10/making-a-good-water-model-molecules-do-conformationally-change-when-cross-from-a-gas-to-water-solution/' rel='bookmark' title='Making a good water model: Molecules do conformationally change when cross from a gas to water solution'>Making a good water model: Molecules do conformationally change when cross from a gas to water solution</a></li>
</ol>

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		<slash:comments>0</slash:comments>
		</item>
		<item>
		<title>How good are biological data &#8211; II: Trombine, GSK, GPCR</title>
		<link>http://q-pharm.com/2007/12/how-good-are-biological-data-ii-trombine-gsk-gpcr/</link>
		<comments>http://q-pharm.com/2007/12/how-good-are-biological-data-ii-trombine-gsk-gpcr/#comments</comments>
		<pubDate>Tue, 18 Dec 2007 08:18:00 +0000</pubDate>
		<dc:creator>fedichev</dc:creator>
				<category><![CDATA[GPCR]]></category>
		<category><![CDATA[HERG]]></category>
		<category><![CDATA[IC50]]></category>
		<category><![CDATA[openbabel]]></category>
		<category><![CDATA[trombine]]></category>

		<guid isPermaLink="false">http://q-pharm.com/?p=18</guid>
		<description><![CDATA[Many bindign affinity prediction methods, such as scores and QSAR models,  rely on availability of accurate information on binding constants. The figure on the left is a result of [...]


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<li><a href='http://q-pharm.com/2008/09/from-biological-spectra-multiple-protein-binding-data-to-pharmacological-profiling/' rel='bookmark' title='From Biological Spectra (multiple protein binding data) to pharmacological profiling!'>From Biological Spectra (multiple protein binding data) to pharmacological profiling!</a></li>
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</ol>

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