Correction for Electronic Structure Investigation and Parametrization of

Erratum pubs.acs.org/jcim

Correction for Electronic Structure Investigation and Parametrization of Biologically Relevant Iron−Sulfur Clusters Alexandra T. P. Carvalho†,‡ and Marcel Swart*,†,§ †

Institut de Química Computacional i Catàlisi and Departament de Química, Universitat de Girona, 17071 Girona, Spain Department of Cell and Molecular Biology, Computational and Systems Biology, Box 596, 751 24 Uppsala, Sweden § Institució Catalana de Recerca i Estudis Avançats (ICREA), Pg. Lluís Companys 23, 08010 Barcelona, Spain ‡

J. Chem. Inf. Model. 2014, 54, 613−620. DOI: 10.1021/ci400718m S Supporting Information *

Due to an unfortunate misunderstanding, the Supporting Information for our manuscript was incomplete. Here we have added the angle bending force constants and the atomic charges for the iron−sulfur clusters. We apologize for any inconvenience this may have caused.

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ASSOCIATED CONTENT

S Supporting Information *

The Supporting Information is available free of charge on the ACS Publications website at DOI: 10.1021/acs.jcim.5b00390.

Published: July 1, 2015 © 2015 American Chemical Society

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DOI: 10.1021/acs.jcim.5b00390 J. Chem. Inf. Model. 2015, 55, 1508−1508