<?xml version="1.0" encoding="UTF-8"?>
<rss version="2.0"
	xmlns:content="http://purl.org/rss/1.0/modules/content/"
	xmlns:wfw="http://wellformedweb.org/CommentAPI/"
	xmlns:dc="http://purl.org/dc/elements/1.1/"
	xmlns:atom="http://www.w3.org/2005/Atom"
	xmlns:sy="http://purl.org/rss/1.0/modules/syndication/"
	xmlns:slash="http://purl.org/rss/1.0/modules/slash/"
	>

<channel>
	<title>Quantum Pharmaceuticals &#187; selectivity</title>
	<atom:link href="http://q-pharm.com/category/selectivity/feed/" rel="self" type="application/rss+xml" />
	<link>http://q-pharm.com</link>
	<description>The drug discovery company</description>
	<lastBuildDate>Thu, 05 Aug 2010 15:05:38 +0000</lastBuildDate>
	<language>en</language>
	<sy:updatePeriod>hourly</sy:updatePeriod>
	<sy:updateFrequency>1</sy:updateFrequency>
	<generator>http://wordpress.org/?v=3.0.1</generator>
		<item>
		<title>Application of a novel in silico high throughput screen to identify selective inhibitors for protein–protein interactions</title>
		<link>http://q-pharm.com/2010/08/application-of-a-novel-in-silico-high-throughput-screen-to-identify-selective-inhibitors-for-protein%e2%80%93protein-interactions/</link>
		<comments>http://q-pharm.com/2010/08/application-of-a-novel-in-silico-high-throughput-screen-to-identify-selective-inhibitors-for-protein%e2%80%93protein-interactions/#comments</comments>
		<pubDate>Thu, 05 Aug 2010 15:05:38 +0000</pubDate>
		<dc:creator>Peter Fedichev, Quantum CTO</dc:creator>
				<category><![CDATA[Quantum Software]]></category>
		<category><![CDATA[docking]]></category>
		<category><![CDATA[inflammation]]></category>
		<category><![CDATA[publications]]></category>
		<category><![CDATA[selectivity]]></category>

		<guid isPermaLink="false">http://q-pharm.com/?p=334</guid>
		<description><![CDATA[Increasing numbers of target protein structures available for computational studies makes the structure-based screening paradigm more attractive for initial hit indentification. We have developed a novel in silico screening methodology incorporating Molecular Mechanics (MM)/implicit solvent methods to evaluate binding free energies and applied this technology...


Related posts:<ol><li><a href='http://q-pharm.com/2008/06/quantum-pharmaceuticals-announce-collaboration-with-university-of-colorado-at-boulder/' rel='bookmark' title='Permanent Link: Quantum Pharmaceuticals announce collaboration with University of Colorado at Boulder'>Quantum Pharmaceuticals announce collaboration with University of Colorado at Boulder</a></li>
<li><a href='http://q-pharm.com/2010/02/drug-discovery-identifying-potential-therapeutics-that-inhibit-opioids-induced-glial-cell-activation/' rel='bookmark' title='Permanent Link: Drug Discovery: identifying potential therapeutics that inhibit opioids-induced glial cell activation'>Drug Discovery: identifying potential therapeutics that inhibit opioids-induced glial cell activation</a></li>
<li><a href='http://q-pharm.com/2007/09/quantum-and-albumin-binding-calculations-the-role-of-protein-flexibility/' rel='bookmark' title='Permanent Link: QUANTUM and albumin binding calculations: the role of protein flexibility'>QUANTUM and albumin binding calculations: the role of protein flexibility</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/2010/07/new-inhibitors-of-reca-bacterial-sos-response-system-identified/' rel='bookmark' title='Permanent Link: New inhibitors of RecA (bacterial SOS response system) identified.'>New inhibitors of RecA (bacterial SOS response system) identified.</a></li>
</ol>

Related posts brought to you by <a href='http://mitcho.com/code/yarpp/'>Yet Another Related Posts Plugin</a>.]]></description>
		<wfw:commentRss>http://q-pharm.com/2010/08/application-of-a-novel-in-silico-high-throughput-screen-to-identify-selective-inhibitors-for-protein%e2%80%93protein-interactions/feed/</wfw:commentRss>
		<slash:comments>0</slash:comments>
		</item>
		<item>
		<title>Drug resistance: evolution in action</title>
		<link>http://q-pharm.com/2010/01/drug-resistance-evolution-in-action/</link>
		<comments>http://q-pharm.com/2010/01/drug-resistance-evolution-in-action/#comments</comments>
		<pubDate>Wed, 06 Jan 2010 08:40:08 +0000</pubDate>
		<dc:creator>Peter Fedichev, Quantum CTO</dc:creator>
				<category><![CDATA[Quantum Software]]></category>
		<category><![CDATA[antiviral]]></category>
		<category><![CDATA[flue]]></category>
		<category><![CDATA[selectivity]]></category>
		<category><![CDATA[anti-viral compounds]]></category>

		<guid isPermaLink="false">http://q-pharm.com/?p=176</guid>
		<description><![CDATA[Introduction of drugs puts an evolutionary pressure on viruses and makes the viral proteins evolve. On the other hand, the change in the protein structure should be compatible with the protein function. The degree of the protein sequence conservativity is thus a measure of the...


Related posts:<ol><li><a href='http://q-pharm.com/2007/09/quantum-and-albumin-binding-calculations-the-role-of-protein-flexibility/' rel='bookmark' title='Permanent Link: QUANTUM and albumin binding calculations: the role of protein flexibility'>QUANTUM and albumin binding calculations: the role of protein flexibility</a></li>
<li><a href='http://q-pharm.com/2009/06/herg-binding-correlates-with-logp/' rel='bookmark' title='Permanent Link: Does hERG binding correlate with LogP?'>Does hERG binding correlate with LogP?</a></li>
<li><a href='http://q-pharm.com/2008/09/whats-an-ultimate-value-of-reversible-drug-binding-constant/' rel='bookmark' title='Permanent Link: What&#8217;s an ultimate value of reversible drug binding constant?'>What&#8217;s an ultimate value of reversible drug binding constant?</a></li>
<li><a href='http://q-pharm.com/2010/07/new-inhibitors-of-reca-bacterial-sos-response-system-identified/' rel='bookmark' title='Permanent Link: New inhibitors of RecA (bacterial SOS response system) identified.'>New inhibitors of RecA (bacterial SOS response system) identified.</a></li>
<li><a href='http://q-pharm.com/2007/09/quantum-science-overview-v-0-1-has-been-released/' rel='bookmark' title='Permanent Link: Quantum Science Overview, v 0.1 has been released'>Quantum Science Overview, v 0.1 has been released</a></li>
</ol>

Related posts brought to you by <a href='http://mitcho.com/code/yarpp/'>Yet Another Related Posts Plugin</a>.]]></description>
		<wfw:commentRss>http://q-pharm.com/2010/01/drug-resistance-evolution-in-action/feed/</wfw:commentRss>
		<slash:comments>1</slash:comments>
		</item>
		<item>
		<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>

		<guid isPermaLink="false">http://q-pharm.com/?p=10</guid>
		<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>
</ol>

Related posts brought to you by <a href='http://mitcho.com/code/yarpp/'>Yet Another Related Posts Plugin</a>.]]></description>
		<wfw:commentRss>http://q-pharm.com/2007/04/docking-selectivity-additive-vs-non-additive-force-field/feed/</wfw:commentRss>
		<slash:comments>0</slash:comments>
		</item>
	</channel>
</rss>
