<div dir="ltr"><div dir="ltr"><div dir="auto"><div><font size="4" color="#000000" style="background-color:rgb(255,255,255)">Hi Chimera users,</font></div><div dir="auto"><font size="4" color="#000000" style="background-color:rgb(255,255,255)"><br></font></div><div dir="auto"><font color="#000000" style="background-color:rgb(255,255,255)"><font size="4">I have written a tutorial about how to utilize Chimera<span class="gmail_default" style="font-size:large">'s</span><span class="gmail_default"> superior capabilities in order to visualize the electrostatic potential of a buried active site. I</span></font><span style="font-family:"Helvetica Neue",Helvetica,Arial,sans-serif;white-space:pre-wrap"><font size="4">n this case, the <span class="gmail_default" style="font-size:large">protein is </span>BACE protease from D3R Challenge 2018. The binding pocket of this protein is negatively charged and the average net charge of the ligands <span class="gmail_default" style="font-size:large">was</span> +2, which both made<span class="gmail_default" style="font-size:large;color:rgb(0,0,0)"></span> accurate scoring with <span class="gmail_default" style="font-size:large">free energy methods</span> difficult. The same procedure can be applied to any other <span class="gmail_default" style="font-size:large;color:rgb(0,0,0)">globular protein</span>.</font></span></font><div class="gmail_quote" dir="auto"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div class="gmail_default" style="color:rgb(0,0,0)"><span style="color:rgb(20,23,26);font-family:"Helvetica Neue",Helvetica,Arial,sans-serif;white-space:pre-wrap;background-color:rgb(245,248,250)"><font size="4"><br></font></span></div><div class="gmail_default"><span style="background-color:rgb(245,248,250)"><a href="https://github.com/tevang/tutorials/tree/master/Electrostatic_Potential_Globular_Protein" rel="noreferrer noreferrer noreferrer" target="_blank"><font size="4"><font color="#14171a" face="Helvetica Neue, Helvetica, Arial, sans-serif"><span style="white-space:pre-wrap">https://github.com/tevang/tutorials/tree/master/Electrostatic_Potential_Globular_Protein</span></font><br></font></a></span></div><div class="gmail_default" style="color:rgb(0,0,0)"><span style="color:rgb(20,23,26);font-family:"Helvetica Neue",Helvetica,Arial,sans-serif;white-space:pre-wrap;background-color:rgb(245,248,250)"><font size="4"><br></font></span></div><div><div class="gmail_default" style="font-size:large;color:rgb(0,0,0)">@Chimera's developers: can you put a link of this tutorial to your dedicated Tutorials page <a href="https://www.cgl.ucsf.edu/chimera/tutorials.html">https://www.cgl.ucsf.edu/chimera/tutorials.html </a>? I have much more scripts and tutorials in my personal archive which I will gradually publish whenever I find free time.</div><br></div><div><div class="gmail_default" style="font-size:large;color:rgb(0,0,0)">With best regards,</div><div class="gmail_default" style="font-size:large;color:rgb(0,0,0)">Thomas</div><br></div><div><br></div>-- <br><div dir="ltr" class="gmail-m_-380524417664465662m_6021702606705979664m_-1991256378981649034m_462755729639902769gmail_signature"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div>
<p style="margin-bottom:0cm" align="LEFT"><span style="color:rgb(0,0,0)"><span style="font-family:arial,helvetica,sans-serif"><font size="2">======================================================================</font></span></span></p>
<p style="margin-bottom:0cm" align="LEFT"><span style="color:rgb(0,0,0)"><span style="font-family:arial,helvetica,sans-serif"><font size="2">Dr Thomas Evangelidis</font></span></span></p><p style="margin-bottom:0cm" align="LEFT"><span style="color:rgb(0,0,0);font-family:arial,helvetica,sans-serif;font-size:small">Research Scientist</span></p><p style="margin-bottom:0cm" align="LEFT"><span style="color:rgb(0,0,0);font-family:arial,helvetica,sans-serif;font-size:small"><a href="https://www.uochb.cz/web/structure/31.html?lang=en" rel="noreferrer noreferrer noreferrer" target="_blank">IOCB - Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences</a></span></p><font size="2"><div><font color="#000000" face="arial, helvetica, sans-serif"><div>Prague, Czech Republic</div><div> & </div></font></div><font color="#000000" face="arial, helvetica, sans-serif"><a href="https://www.ceitec.eu/" rel="noreferrer noreferrer noreferrer" target="_blank">CEITEC - Central European Institute of Technology</a></font><br><font color="#000000" face="arial, helvetica, sans-serif">Brno, Czech Republic </font></font></div><div><font size="2"><font color="#000000" face="arial, helvetica, sans-serif"><br></font></font></div><div dir="ltr"><p style="margin-bottom:0cm" align="LEFT"><span style="color:rgb(0,0,0)"><span style="font-family:arial,helvetica,sans-serif"><font size="2">email: </font></span></span><a href="mailto:tevang3@gmail.com" style="font-size:small;font-family:arial,helvetica,sans-serif" rel="noreferrer noreferrer noreferrer" target="_blank">tevang3@gmail.com</a></p><p style="margin-bottom:0cm" align="LEFT"><span style="color:rgb(0,0,0)"><span style="font-family:arial,helvetica,sans-serif"><font size="2">website:
<a href="https://sites.google.com/site/thomasevangelidishomepage/" rel="noreferrer noreferrer noreferrer" target="_blank">https://sites.google.com/site/thomasevangelidishomepage/</a></font></span></span></p><span style="color:rgb(0,0,0)"><br><br></span><p style="margin-bottom:0cm" align="LEFT">
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