Saladino, G;
Gervasio, FL;
(2016)
Modeling the effect of pathogenic mutations on the conformational landscape of protein kinases.
Current Opinion in Structural Biology
, 37
pp. 108-114.
10.1016/j.sbi.2016.01.005.
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Abstract
Most proteins assume different conformations to perform their cellular functions. This conformational dynamics is physiologically regulated by binding events and post-translational modifications, but can also be affected by pathogenic mutations. Atomistic molecular dynamics simulations complemented by enhanced sampling approaches are increasingly used to probe the effect of mutations on the conformational dynamics and on the underlying conformational free energy landscape of proteins. In this short review we discuss recent successful examples of simulations used to understand the molecular mechanism underlying the deregulation of physiological conformational dynamics due to non-synonymous single point mutations. Our examples are mostly drawn from the protein kinase family.
| Type: | Article |
|---|---|
| Title: | Modeling the effect of pathogenic mutations on the conformational landscape of protein kinases |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1016/j.sbi.2016.01.005 |
| Publisher version: | http://dx.doi.org/10.1016/j.sbi.2016.01.005 |
| Language: | English |
| Additional information: | © 2016 Elsevier Ltd. This manuscript is made available under a Creative Commons Attribution Non-commercial Non-derivative 4.0 International license (CC BY-NC-ND 4.0). This license allows you to share, copy, distribute and transmit the work for personal and non-commercial use providing author and publisher attribution is clearly stated. Further details about CC BY licenses are available at http://creativecommons.org/ licenses/by/4.0. Access may be initially restricted by the publisher. |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry |
| URI: | https://discovery.ucl.ac.uk/id/eprint/1476064 |
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