[an error occurred while processing this directive]<meta name="keywords" content="Department of Computer Science, publications, by type, Stratagems for Effective Function Evaluation in Computational Chemistry"></meta><meta name="description" content="Publications, by type,Stratagems for Effective Function Evaluation in Computational Chemistry, Department of Computer Science, Oxford"></meta><title>Department of Computer Science: Molecular modelling: Publications
</title><style type="text/css">
			  .btn-toolbar::after, .btn-toolbar::before
			  {
			    content: " ";
			    display: table;
			  }

			
			.btn-toolbar
			{
			    margin-bottom: 2em;
			}

			  .btn-toolbar::after, .btn-group::after
			  {
			    clear: both;
			  }


			.btn-toolbar .btn, .btn-toolbar .btn-group
			  {
			    float: left;
			}
			
			.btn-group
			  {
			    display: inline-block;
			    position: relative;
			    vertical-align: middle;
			}

			  .btn-group > .btn:first-child:not(:last-child)
			  {
			    border-bottom-right-radius: 0;
			    border-top-right-radius: 0;
			}
			
			.btn-group > .btn:first-child
			  {
			    margin-left: 0;
			}

			.btn-group > .btn
			  {
			    float: left;
			    position: relative;
			}

			  .btn-group > .btn:not(:first-child):not(:last-child)
			  {
			    border-radius: 0;
			}
			
			  .btn-group > .btn:last-child:not(:first-child)
			  {
			    border-bottom-left-radius: 0;
			    border-top-left-radius: 0;
			}
			
			.btn-group .btn + .btn, .btn-group .btn + .btn-group, .btn-group .btn-group + .btn, .btn-group .btn-group + .btn-group
			  {
			    margin-left: -2px;
			}
			</style>[an error occurred while processing this directive]<div class="content-width"><ol class="breadcrumb text-uppercase"><li><a href="/">Home</a></li><li><a href="/research/">Research</a></li><li><a href="/research/compbio/">Computational Biology and Health Informatics</a></li><li><a href="/research/compbio/projects.html">projects</a></li><li><a href="/projects/DOX/">Molecular modelling</a></li><li class="active">Publications</li></ol></div><!-- MOBILE NAVIGATION --><div class="content-width space-below mobile-menu-placeholder visible-xs visible-sm"></div><!-- COLUMNS --><div class="container-fluid content-width"><div class="row"><div class="col-xs-12 col-md-9 col-md-push-3" id="maincontent"><!-- CONTENT (Column 2) --><div class="page-title"><h1>Molecular modelling: Publications
</h1></div><div role="toolbar" class="btn-toolbar"><div class="btn-group"><a href="/projects/publications/date/DOX.html" aria-hidden="true" type="button" class="btn btn-default"><span class="glyphicon glyphicon-sort-by-attributes"></span> By date</a><a href="/projects/publications/title/DOX.html" aria-hidden="true" type="button" class="btn btn-default"><span class="glyphicon glyphicon-sort-by-attributes"></span> By title</a><a href="/projects/publications/type/DOX.html" aria-hidden="true" type="button" class="btn btn-oxford-blue"><span class="glyphicon glyphicon-sort-by-attributes"></span> By type</a><a href="/projects/publications/bibtex/DOX.html" aria-hidden="true" type="button" class="btn btn-default"><span class="glyphicon glyphicon-file"></span> BibTex</a></div></div><h2>
      Journal papers
      </h2><ul class="list-unbulleted list-unbulleted-spaced"><li>
	
	<div class="row">
		
			<div class="col-xs-1 text-right">
				[1] 
			</div>

		
        
		<div
			class="col-xs-11"
		>
			
	
	<p class="publicationTitle"> <strong>
            Knowing When To Give Up: Early&#x2212;Rejection Stratagems in High&#x2212;Throughput Virtual Screening </strong> </p>
	    <p class="publicationAuthors"> <em> Gwyn Skone&#x201a; Irina Voiculescu and Stephen Cameron  </em> </p>
	
	<p class="publicationDetails"> 
        In <em>Journal of Computer&#x2212;Aided Molecular Design</em>.
        
            Vol. 23.
        
                Pages 715&#x2212;724.
            2009.
        </p>
	
        		<p class="publicationlinks"> <a
        
            		href="/publications/publication3174-abstract.html">
			Details <span class="sr-only" > about <em> Knowing When To Give Up: Early&#x2212;Rejection Stratagems in High&#x2212;Throughput Virtual Screening  </em></span> </a> |
			<a href="/publications/publication3174.bib">
			BibTeX  <span class="sr-only" > data for <em> Knowing When To Give Up: Early&#x2212;Rejection Stratagems in High&#x2212;Throughput Virtual Screening  </em></span>   </a>
			
			 | <a
		href="http://dx.doi.org/10.1007/s10822-009-9296-x">
		DOI (10.1007/s10822-009-9296-x)
		</a> 
					| <a href="http://www.springerlink.com/content/p2w5g1020p665115/fulltext.pdf"> Download (pdf)  <span class="sr-only" > of <em> Knowing When To Give Up: Early&#x2212;Rejection Stratagems in High&#x2212;Throughput Virtual Screening  </em></span>   </a>
  				
		
		</div> 
	</div> 
	
        </li></ul><h2>
      Conference papers
      </h2><ul class="list-unbulleted list-unbulleted-spaced"><li>
	
	<div class="row">
		
			<div class="col-xs-1 text-right">
				[1] 
			</div>

		
        
		<div
			class="col-xs-11"
		>
			
	
	<p class="publicationTitle"> <strong>
            Basic Strategies for Molecular Docking with Scoring Functions </strong> </p>
	    <p class="publicationAuthors"> <em> Gwyn Skone&#x201a; Stephen Cameron and Irina Voiculescu  </em> </p>
	
	<p class="publicationDetails"> 
            In  
            <em>
            German Conference on Bioinformatics</em>.
        September,
            2008.
        </p>
	
        		<p class="publicationlinks"> <a
        
            		href="/publications/publication2684-abstract.html">
			Details <span class="sr-only" > about <em> Basic Strategies for Molecular Docking with Scoring Functions  </em></span> </a> |
			<a href="/publications/publication2684.bib">
			BibTeX  <span class="sr-only" > data for <em> Basic Strategies for Molecular Docking with Scoring Functions  </em></span>   </a>
			
			
		
		</div> 
	</div> 
	
        </li></ul><h2>
      Theses
      </h2><ul class="list-unbulleted list-unbulleted-spaced"><li>
	
	<div class="row">
		
			<div class="col-xs-1 text-right">
				[1] 
			</div>

		
        
		<div
			class="col-xs-11"
		>
			
	
	<p class="publicationTitle"> <strong>
            Stratagems for Effective Function Evaluation in Computational Chemistry </strong> </p>
	    <p class="publicationAuthors"> <em> G.S. Skone  </em> </p>
	
	<p class="publicationDetails">  PhD Thesis 2010.
        </p>
	
        		<p class="publicationlinks"> <a
        
            		href="/publications/publication3586-abstract.html">
			Details <span class="sr-only" > about <em> Stratagems for Effective Function Evaluation in Computational Chemistry  </em></span> </a> |
			<a href="/publications/publication3586.bib">
			BibTeX  <span class="sr-only" > data for <em> Stratagems for Effective Function Evaluation in Computational Chemistry  </em></span>   </a>
			
			

				     |
                			<a 
                			    href="http://www.cs.ox.ac.uk/files/3050/Thesis.pdf">Download
					     (pdf)

					    <span class="sr-only" > of <em> Stratagems for Effective Function Evaluation in Computational Chemistry  </em></span>

					    </a>


				    
		
		</div> 
	</div> 
	
        </li></ul></div><div class="col-xs-12 col-md-3 col-md-pull-9 side-menu-col">[an error occurred while processing this directive]</div></div></div>[an error occurred while processing this directive]