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

E-ISSN： 1877-945x|2|3|263-272

ISSN： 1877-9441

Source： Current Inorganic Chemistry, Vol.2, Iss.3, 2012-01, 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

Abstract

Related content

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

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

Current Inorganic Chemistry, Vol. 2, Iss. 3, 2012-09 ,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

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