<html xmlns:v="urn:schemas-microsoft-com:vml" xmlns:o="urn:schemas-microsoft-com:office:office" xmlns:w="urn:schemas-microsoft-com:office:word" xmlns:x="urn:schemas-microsoft-com:office:excel" xmlns:m="http://schemas.microsoft.com/office/2004/12/omml" xmlns="http://www.w3.org/TR/REC-html40">
<head>
<meta http-equiv="Content-Type" content="text/html; charset=iso-8859-2">
<meta name="Generator" content="Microsoft Word 14 (filtered medium)">
<style><!--
/* Font Definitions */
@font-face
{font-family:"Cambria Math";
panose-1:2 4 5 3 5 4 6 3 2 4;}
@font-face
{font-family:Calibri;
panose-1:2 15 5 2 2 2 4 3 2 4;}
@font-face
{font-family:Tahoma;
panose-1:2 11 6 4 3 5 4 4 2 4;}
@font-face
{font-family:Verdana;
panose-1:2 11 6 4 3 5 4 4 2 4;}
/* Style Definitions */
p.MsoNormal, li.MsoNormal, div.MsoNormal
{margin:0cm;
margin-bottom:.0001pt;
font-size:10.0pt;
font-family:"Times New Roman","serif";
mso-fareast-language:FR;}
h6
{mso-style-priority:9;
mso-style-link:"Heading 6 Char";
margin-top:0cm;
margin-right:-14.2pt;
margin-bottom:0cm;
margin-left:-7.1pt;
margin-bottom:.0001pt;
text-align:center;
page-break-after:avoid;
font-size:16.0pt;
font-family:"Times New Roman","serif";
mso-fareast-language:FR;
font-weight:normal;}
p.MsoCaption, li.MsoCaption, div.MsoCaption
{mso-style-priority:35;
margin-top:6.0pt;
margin-right:0cm;
margin-bottom:6.0pt;
margin-left:0cm;
font-size:12.0pt;
font-family:"Times New Roman","serif";
mso-fareast-language:EN-US;
font-style:italic;}
p.MsoTitle, li.MsoTitle, div.MsoTitle
{mso-style-priority:10;
mso-style-link:"Title Char";
margin-top:0cm;
margin-right:-14.2pt;
margin-bottom:0cm;
margin-left:-7.1pt;
margin-bottom:.0001pt;
text-align:center;
font-size:16.0pt;
font-family:"Times New Roman","serif";
mso-fareast-language:FR;
font-weight:bold;}
a:link, span.MsoHyperlink
{mso-style-priority:99;
color:blue;
text-decoration:underline;}
a:visited, span.MsoHyperlinkFollowed
{mso-style-priority:99;
color:purple;
text-decoration:underline;}
p.MsoAcetate, li.MsoAcetate, div.MsoAcetate
{mso-style-priority:99;
mso-style-link:"Balloon Text Char";
margin:0cm;
margin-bottom:.0001pt;
font-size:8.0pt;
font-family:"Tahoma","sans-serif";
mso-fareast-language:EN-US;}
span.Heading6Char
{mso-style-name:"Heading 6 Char";
mso-style-priority:9;
mso-style-link:"Heading 6";
font-family:"Times New Roman","serif";
mso-fareast-language:FR;}
span.TitleChar
{mso-style-name:"Title Char";
mso-style-priority:10;
mso-style-link:Title;
font-family:"Times New Roman","serif";
mso-fareast-language:FR;
font-weight:bold;}
span.BalloonTextChar
{mso-style-name:"Balloon Text Char";
mso-style-priority:99;
mso-style-link:"Balloon Text";
font-family:"Tahoma","sans-serif";}
span.EmailStyle23
{mso-style-type:personal;
font-family:"Calibri","sans-serif";
color:windowtext;}
span.EmailStyle24
{mso-style-type:personal-reply;
font-family:"Calibri","sans-serif";
color:#1F497D;}
.MsoChpDefault
{mso-style-type:export-only;
font-size:10.0pt;}
@page WordSection1
{size:612.0pt 792.0pt;
margin:70.85pt 70.85pt 70.85pt 70.85pt;}
div.WordSection1
{page:WordSection1;}
--></style><!--[if gte mso 9]><xml>
<o:shapedefaults v:ext="edit" spidmax="1026" />
</xml><![endif]--><!--[if gte mso 9]><xml>
<o:shapelayout v:ext="edit">
<o:idmap v:ext="edit" data="1" />
</o:shapelayout></xml><![endif]-->
</head>
<body lang="SL" link="blue" vlink="purple">
<div class="WordSection1">
<p class="MsoNormal"><span lang="FR"><o:p> </o:p></span></p>
<p class="MsoTitle" style="margin:0cm;margin-bottom:.0001pt"><span style="font-size:18.0pt;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:8.0pt;font-family:"Verdana","sans-serif";mso-fareast-language:SL"><o:p> </o:p></span></b></p>
<p class="MsoCaption" align="center" style="text-align:center"><b><span style="font-size:20.0pt;font-family:"Verdana","sans-serif";mso-fareast-language:SL;font-style:normal">Prof. Dr. Marco Klähn<o:p></o:p></span></b></p>
<p class="MsoCaption" align="center" style="text-align:center"><span lang="FR" style="font-family:"Verdana","sans-serif";mso-fareast-language:FR;font-style:normal"><br>
Laboratory for Biomolecular Dynamics, Technische Universität München, Garching, Germany<o:p></o:p></span></p>
<p class="MsoNormal" align="center" style="text-align:center;line-height:150%"><b><span style="font-size:8.0pt;line-height:150%;font-family:"Verdana","sans-serif""><o:p> </o:p></span></b></p>
<p class="MsoNormal" align="center" style="margin-bottom:6.0pt;text-align:center">
<b><span style="font-size:16.0pt;font-family:"Verdana","sans-serif"">Èetrtek / Thursday, 25. 10. 2012, ob / at 13:00<o:p></o:p></span></b></p>
<h6 style="mso-margin-top-alt:0cm;margin-right:0cm;margin-bottom:6.0pt;margin-left:0cm">
<span lang="FR" style="font-size:12.0pt;font-family:"Verdana","sans-serif"">Velika predavalnica Kemijskega in¹tituta / Lecture Hall 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:16.0pt;font-family:"Verdana","sans-serif";color:#993366"><o:p> </o:p></span></b></p>
<p class="MsoNormal" align="center" style="text-align:center;line-height:150%"><b><span lang="EN-GB" style="font-size:18.0pt;line-height:150%;font-family:"Verdana","sans-serif";color:#993366">Proteins Solvated in Ionic Liquids: How the Ionic Constituents<o:p></o:p></span></b></p>
<p class="MsoNormal" align="center" style="text-align:center;line-height:150%"><b><span lang="EN-GB" style="font-size:18.0pt;line-height:150%;font-family:"Verdana","sans-serif";color:#993366">Influence Protein Stability<o:p></o:p></span></b></p>
<p class="MsoNormal" style="line-height:150%"><span lang="FR" style="font-family:"Verdana","sans-serif"">Povzetek / Abstract<o:p></o:p></span></p>
<p class="MsoNormal" style="line-height:150%"><span lang="FR" style="font-family:"Verdana","sans-serif"">The effect of ionic constituents of various ionic liquid (IL) solvents on the enzyme Candida Antarctica lipase B (CAL-B) is investigated. These solutions
are analyzed with molecular dynamics (MD) simulations in combination with empirical force fields. Partial unfolding of CAL-B is observed in high-temperature MD simulations. Occurring changes in the solvent accessible protein surface, radius of gyration and
secondary structure are monitored and compared across different ILs. Two distinct mechanisms that destabilize the protein are observed: Strong electrostatic interactions of small hydrophilic anions with polar regions of the protein surface destabilize the
folded state of the protein. Secondly, hydrophobic cations interact either directly with the hydrophobic core of the protein or induce large conformational changes that expose the protein core to the solvent, thus stabilizing the<o:p></o:p></span></p>
<p class="MsoNormal" style="line-height:150%"><span lang="FR" style="font-family:"Verdana","sans-serif"">unfolded protein state. The simulation results outline the underlying molecular mechanisms behind the previously observed relations that connect IL composition
and protein stability.<o:p></o:p></span></p>
<p class="MsoNormal" style="text-align:justify"><span lang="FR" style="font-family:"Verdana","sans-serif""><o:p> </o:p></span></p>
<p class="MsoNormal" align="center" style="text-align:center"><b><span lang="EN-GB" style="font-size:9.0pt;font-family:"Verdana","sans-serif";color:#993366"><o:p> </o:p></span></b></p>
<p class="MsoNormal" align="center" style="text-align:center"><span lang="EN-GB" style="font-size:14.0pt;font-family:"Verdana","sans-serif"">Vljudno vabljeni! / Kindly invited<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:"Arial","sans-serif";mso-fareast-language:SL"><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:"Arial","sans-serif";mso-fareast-language:SL"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="FR"><o:p> </o:p></span></p>
</div>
</body>
</html>