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<p class="MsoNormal"><span lang="FR" style="font-size:11.0pt;font-family:"Calibri","sans-serif""><o:p> </o:p></span></p>
<p class="MsoTitle" style="margin:0cm;margin-bottom:.0001pt"><span style="font-size:9.0pt;font-family:"Verdana","sans-serif";color:black;font-weight:normal"><o:p> </o:p></span></p>
<p class="MsoTitle" style="margin:0cm;margin-bottom:.0001pt"><span style="font-size:8.0pt;font-family:"Verdana","sans-serif";color:black;font-weight:normal"><o:p> </o:p></span></p>
<p class="MsoTitle" style="margin:0cm;margin-bottom:.0001pt"><span style="font-family:"Verdana","sans-serif";color:black;font-weight:normal">VABILO NA PREDAVANJE / INVITATION TO THE LECTURE<o:p></o:p></span></p>
<p class="MsoNormal" align="center" style="text-align:center"><b><span style="font-size:12.0pt;font-family:"Verdana","sans-serif""><o:p> </o:p></span></b></p>
<p class="MsoNormal" align="center" style="text-align:center"><b><span style="font-size:12.0pt;font-family:"Verdana","sans-serif""><o:p> </o:p></span></b></p>
<p class="MsoPlainText" align="center" style="text-align:center"><b><span style="font-size:20.0pt;font-family:"Verdana","sans-serif"">Dr. Gerhard Koenig</span></b><o:p></o:p></p>
<p class="MsoNormal" align="center" style="text-align:center;line-height:150%"><span style="font-size:8.0pt;line-height:150%;font-family:"Arial","sans-serif";mso-fareast-language:SL"><o:p> </o:p></span></p>
<h6 style="margin:0cm;margin-bottom:.0001pt;line-height:150%"><span lang="EN-GB" style="font-size:11.0pt;line-height:150%;font-family:"Verdana","sans-serif"">NIH/NHLBI, Bethesda, MD, ZDA<o:p></o:p></span></h6>
<p class="MsoNormal" align="center" style="text-align:center"><span lang="EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal" align="center" style="text-align:center"><span lang="EN-US"><o:p> </o:p></span></p>
<p class="MsoNormal" align="center" style="text-align:center"><span lang="EN-US" style="font-family:"Arial","sans-serif";mso-fareast-language:SL"><o:p> </o:p></span></p>
<p class="MsoNormal" align="center" style="text-align:center;line-height:150%"><b><span style="font-size:16.0pt;line-height:150%;font-family:"Verdana","sans-serif"">Petek / Friday, 21. 9. 2012, ob / at 11:30<o:p></o:p></span></b></p>
<h6 style="margin:0cm;margin-bottom:.0001pt;line-height:150%"><span lang="EN-GB" style="font-size:8.0pt;line-height:150%;font-family:"Verdana","sans-serif""><o:p> </o:p></span></h6>
<h6 style="margin:0cm;margin-bottom:.0001pt;line-height:150%"><span lang="EN-GB" style="font-size:12.0pt;line-height:150%;font-family:"Verdana","sans-serif"">Fegeševa soba na Kemijskem inštitutu / Fegeš Room at the National Institute of Chemistry; Hajdrihova
19, Ljubljana <o:p></o:p></span></h6>
<p class="MsoNormal" align="center" style="text-align:center"><b><span lang="EN-GB" style="font-size:18.0pt;font-family:"Verdana","sans-serif";color:#993366"><o:p> </o:p></span></b></p>
<p class="MsoPlainText" align="center" style="text-align:center;line-height:150%">
<b><span lang="EN-GB" style="font-size:16.0pt;line-height:150%;font-family:"Verdana","sans-serif";color:#993366;mso-fareast-language:FR">Predicting ligand binding free energies and protein stability with molecular dynamics simulations<o:p></o:p></span></b></p>
<h2><span lang="EN-GB"><o:p> </o:p></span></h2>
<p class="MsoPlainText" style="text-align:justify;line-height:150%"><span style="font-size:12.0pt;line-height:150%">Free energy simulations are considered among the most accurate and general methodologies in the field of computational chemistry. They provide
means to study free energy differences associated with diverse processes such as the binding affinities of ligands, enzymatic reactions, the solubility of organic molecules, as well as the effect of point mutations and post-translational modifications in a
quantitative way. Thus, free energy calculations represent an interesting option for analyzing systems that are not directly accessible to experimental approaches. In particular, the presentation focuses on the results of ligand binding calculations in the
blind SAMPL3 binding prediction competition as well as the effect of point mutations on protein stability in aqueous solution.<o:p></o:p></span></p>
<p class="MsoPlainText"><o:p> </o:p></p>
<p class="MsoNormal" style="text-align:justify"><span lang="DE" style="font-size:8.0pt;font-family:"Arial Narrow","sans-serif";color:#333333"><o:p> </o:p></span></p>
<p class="MsoNormal" style="text-align:justify"><span lang="DE" style="font-size:8.0pt;font-family:"Arial Narrow","sans-serif";color:#333333"><o:p> </o:p></span></p>
<p class="MsoNormal" style="text-align:justify"><span lang="DE" style="font-size:8.0pt;font-family:"Arial Narrow","sans-serif";color:#333333"><o:p> </o:p></span></p>
<p class="MsoNormal" align="center" style="text-align:center"><span lang="EN-US" style="font-size:12.0pt;font-family:"Verdana","sans-serif";mso-fareast-language:SL">Vljudno vabljeni! / Kindly invited!<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="FR"><o:p> </o:p></span></p>
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