Using QM/MM Methods for the Exploration of Electron Transfer Pathways

Author： F. Lucas Maria   Masone Diego   Saen-oon Suwipa   Wallrapp Frank   Guallar Victor  

Publisher： Bentham Science Publishers

ISSN： 1877-9441

Source： Current Inorganic Chemistry, Vol.2, Iss.3, 2012-09, pp. : 263-272

Disclaimer: Any content in publications that violate the sovereignty, the constitution or regulations of the PRC is not accepted or approved by CNPIEC.

Previous Menu Next

Related content

Using QM/MM Methods for the Exploration of Electron Transfer Pathways

By  

Current Inorganic Chemistry, Vol. 2, Iss. 3, 2012-01 ,pp. : 263-272

Bentham Science Publishers

Access to resources Recommend Favorite

An efficient implementation of a QM–MM method in SIESTA

By Sanz-Navarro Carlos   Grima Rogeli   García Alberto   Bea Edgar   Soba Alejandro   Cela José   Ordejón Pablo  

Theoretical Chemistry Accounts, Vol. 128, Iss. 4-6, 2011-03 ,pp. : 825-833

Springer Publishing Company

Access to resources Recommend Favorite

QM/MM Calculations with deMon2k

By Salahub Dennis R.   Noskov Sergei Yu.   Lev Bogdan   Zhang Rui   Ngo Van   Goursot Annick   Calaminici Patrizia   Köster Andreas M.   Alvarez-Ibarra Aurelio   Mejía-Rodríguez Daniel   Řezáč Jan   Cailliez Fabien   de la Lande Aurélien  

Molecules, Vol. 20, Iss. 3, 2015-03 ,pp. : 4780-4812

MDPI

Access to resources Recommend Favorite

QM/MM Insight on Enzymatic Reactions of Glycosyltransferases

By  

Mini-Reviews in Organic Chemistry, Vol. 8, Iss. 3, 2011-08 ,pp. : 263-269

Bentham Science Publishers

Access to resources Recommend Favorite

QM/MM connection atoms for the multistate treatment of organic and biological molecules

By Toniolo A.  

Theoretical Chemistry Accounts, Vol. 111, Iss. 2-6, 2004-03 ,pp. : 270-279

Springer Publishing Company

Access to resources Recommend Favorite