http://www.sklogwiki.org/SklogWiki/index.php?action=history&feed=atom&title=SMMP 2026-04-28T04:19:07Z Revision history for this page on the wiki MediaWiki 1.41.0 http://www.sklogwiki.org/SklogWiki/index.php?title=SMMP&diff=8906&oldid=prev 2009-09-11T13:31:01Z

<p>New page: &#039;&#039;&#039;SMMP&#039;&#039;&#039; (&#039;&#039;&#039;S&#039;&#039;&#039;imple &#039;&#039;&#039;M&#039;&#039;&#039;olecular &#039;&#039;&#039;M&#039;&#039;&#039;echanics for &#039;&#039;&#039;P&#039;&#039;&#039;roteins) package is designed for <a href="/SklogWiki/index.php/Computer_simulation_techniques" title="Computer simulation techniques">molecular simulation</a> of linear <a href="/SklogWiki/index.php?title=Peptides&amp;action=edit&amp;redlink=1" class="new" title="Peptides (page does not exist)">peptides</a> and [[p...</p> <p><b>New page</b></p><div>&#039;&#039;&#039;SMMP&#039;&#039;&#039; (&#039;&#039;&#039;S&#039;&#039;&#039;imple &#039;&#039;&#039;M&#039;&#039;&#039;olecular &#039;&#039;&#039;M&#039;&#039;&#039;echanics for &#039;&#039;&#039;P&#039;&#039;&#039;roteins) package is designed for [[Computer simulation techniques |molecular simulation]] of linear [[peptides]] and [[proteins]] utilizing [[torsion angles]] as internal [[Degree of freedom |degrees of freedom]]. <br /> SMMP contains advanced algorithms for minimization and the simulation of thermodynamic distributions of the conformational energy of single protein molecules. The internal energy of a protein can be calculated exploiting different [[force fields]]. A solvation term has been added to account for the molecular solvent accessible surface via analytical computation (for energy minimization) or fast numerical approximation (in stochastic simulations).<br /> ==References==<br /> #[http://dx.doi.org/10.1016/S0010-4655(01)00197-7 Frank Eisenmenger, Ulrich H. E. Hansmann, Shura Hayryan, and Chin-Kun Hu &quot;&lt;nowiki&gt;[&lt;/nowiki&gt;SMMP&lt;nowiki&gt;]&lt;/nowiki&gt; A modern package for simulation of proteins&quot;, Computer Physics Communications &#039;&#039;&#039;138&#039;&#039;&#039; pp. 192-212 (2001)]<br /> #[http://dx.doi.org/10.1016/j.cpc.2005.10.013 Frank Eisenmenger, Ulrich H.E. Hansmann, Shura Hayryan, and Chin-Kun Hu &quot;An enhanced version of SMMP—open-source software package for simulation of proteins&quot;, Computer Physics Communications &#039;&#039;&#039;174&#039;&#039;&#039; pp. 422-429 (2006)]<br /> #[http://dx.doi.org/10.1016/j.cpc.2007.11.004 Jan H. Meinke, Sandipan Mohanty, Frank Eisenmenger, Ulrich H.E. Hansmann &quot;SMMP v. 3.0—Simulating proteins and protein interactions in Python and Fortran&quot;, Computer Physics Communications &#039;&#039;&#039;178&#039;&#039;&#039; pp. 459-470 (2008)] <br /> ==External links==<br /> *[http://www.phy.mtu.edu/biophys/smmp.htm SMMP web page]<br /> [[Category: Materials modelling and computer simulation codes]]</div>

Carl McBride