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Enormous progress in computational chemistry shifted experiments toward predictive approaches. Such a paradigm shift applies to all branches of chemistry, especially to structural chemistry. To help the transfer of new knowledge in drug design practice, we reconsider a few vibrant topics of protein dynamics engaged in making predictions based on the timing of the events that are simulated. However, a complete explanation of the "dynamic evidence" also requires a reference to the time window allowing a prediction of the endpoint. Pioneering achievements disclosing the structure of large membrane proteins and their assemblies enabled the prediction of traverse pathways shaping membrane protein functions - essentially the efficacy of membrane proteins. Invoking significant advances made in characterizing the solute and ion symport of specific proteins through molecular dynamic simulations, early formation of a new type of solute-ion structure has been exposed as a prerequisite of Na+ symporter function. We demonstrate that the computational chemistry is one of the most appropriate models to study traverse pathways, and we also clarify the importance of the art of fast experimental techniques. © 2015 Springer Science+Business Media New York.
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(Héja László (Idegtudomány); 2015.11.21. 19:15:07)
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<div class="JournalArticle Publication short-list"> <div class="authors"> <span class="author-name" mtid="10001101"> <a href="/gui2/?type=authors&mode=browse&sel=10001101" target="_blank">Kardos, J ✉</a> </span> <span class="author-type"> </span> ; <span class="author-name" mtid="10001431"> <a href="/gui2/?type=authors&mode=browse&sel=10001431" target="_blank">Héja, L</a> </span> <span class="author-type"> </span> </div ><div class="title"><a href="/gui2/?mode=browse¶ms=publication;2972616" mtid="2972616" target="_blank">How membrane proteins work giving autonomous traverse pathways?</a></div> <div class="pub-info"> <span class="journal-title">STRUCTURAL CHEMISTRY</span> <span class="journal-volume">26</span> : <span class="journal-issue">5-6</span> <span class="page"> pp. 1405-1410. , 6 p. </span> <span class="year">(2015)</span> </div> <div class="pub-end"><div class="identifier-list"> <span class="identifiers"> <span class="id identifier oa_none" title="none"> <a style="color:blue" title="10.1007/s11224-015-0601-0" target="_blank" href="https://doi.org/10.1007/s11224-015-0601-0"> DOI </a> </span> <span class="id identifier oa_CLOSED" title=" Zárt "> <a style="color:black" title="32534" target="_blank" href="http://real.mtak.hu/32534"> REAL </a> </span> <span class="id identifier oa_none" title="none"> <a style="color:blue" title="000362967600022" target="_blank" href="https://www.webofscience.com/wos/woscc/full-record/000362967600022"> WoS </a> </span> <span class="id identifier oa_none" title="none"> <a style="color:blue" title="84944441357" target="_blank" href="http://www.scopus.com/record/display.url?origin=inward&eid=2-s2.0-84944441357"> Scopus </a> </span> </span> </div> <div class="short-pub-prop-list"> <span class="short-pub-mtid"> Közlemény:2972616 </span> <span class="status-holder"><span class="status-data status-APPROVED"> Nyilvános </span></span> <span class="pub-core">Forrás Idéző </span> <span class="pub-type">Folyóiratcikk (Összefoglaló cikk ) </span> <!-- && !record.category.scientific --> <span class="pub-category">Tudományos</span> <div class="publication-citation" style="margin-left: 0.5cm;"> <span title="Nyilvános idézőközlemények összesen, említések nélkül" class="citingPub-count">Nyilvános idéző összesen: 3</span> | Független: 2 | Függő: 1 | Nem jelölt: 0 | WoS jelölt: 2 | Scopus jelölt: 2 | WoS/Scopus jelölt: 2 | DOI jelölt: 2 </div> </div> </div> </div><div class="JournalArticle Publication long-list">
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<span class="authorAux-mtmt"> Neurokémia, az idegi jelátvitel molekuláris mec...</span>)
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<span class="author-affil"><span title="Természettudományi Kutatóközpont">TTK</span>/Szerves Kémiai Intézet; <span title="MTA Természettudományi Kutatóközpont">MTA TTK</span>/<span title="Szerves Kémiai Intézet">SZKI</span>/Funkcionális Farmakológiai Csoport</span>
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<div class="title"><a href="/gui2/?mode=browse¶ms=publication;2972616" target="_blank">How membrane proteins work giving autonomous traverse pathways?</a></div> <div> <span class="journal-title">STRUCTURAL CHEMISTRY</span>
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<div class="mtid"><span class="long-pub-mtid">Közlemény: 2972616</span>
| <span class="status-data status-APPROVED"> Nyilvános
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<span class="oldId">Régi azonosító: 2972616</span> |
Forrás Idéző
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<div class="lastModified">Utolsó módosítás: 2021.04.06. 02:46 Héja László (MTA TTK SZKI admin5)
</div>
<pre class="comment" style="margin-top: 0; margin-bottom: 0;"><u>Megjegyzés</u>: Megjegyzés-25239956
Hiányzó Jelleg: 'JOUR\n\nReview'
Admin megjegyzés-25239956
tblcategory: (Category) ('JOUR\n\nReview') #Jelleg</pre>
</div></div>