Tuning the transport properties of biomolecules atom by atom.

<p>Data&nbsp; presented in the CECAM Conference:&nbsp;BioMolecular Electronics -- BIOMOLECTRO&nbsp;( link: <a href="https://www.cecam.org/workshop-details/246">https://www.cecam.org/workshop-details/246</a>).&nbsp;</p> <p>Here we discuss how point mutations can result in abrupt changes of the electron transfer properties of proteins, and the findings are rationalized using a combination of Ab-Initio and Molecular dynamics simulations. This&nbsp;is intended to provide an overview of the results published in several peer-reviewed freely available papers:</p> <p>J. Am. Chem. Soc. 139, 15337-15346 (2017)&nbsp; [DOI: 10.1021/jacs.7b06130]<br> Phys. Chem. Chem. Phys. 20, 30392 (2018) [DOI:10.1039/C8CP06862C]<br> Biomolecules&nbsp; 9, 611 (2019) [DOI:10.3390/biom9100611]<br> Biomolecules 9, 506 (2019) [DOI: 10.3390/biom9090506]</p>