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Title: Application of quantum mechanics/molecular mechanics methods in the study of enzymatic reaction mechanisms: Application of QM/MM methods

Authors:
 [1];  [1];  [1];  [1];  [1];  [1];  [1]
  1. Departamento de Química e Bioquímica, Faculdade de Ciências, UCIBIO, REQUIMTE, Universidade do Porto, Porto Portugal
Publication Date:
Sponsoring Org.:
USDOE Office of Nuclear Energy (NE), Fuel Cycle Technologies (NE-5)
OSTI Identifier:
1400800
Grant/Contract Number:  
PT2020 UID/MULTI/04378/2013; EXCL/QEQ-COM/0394/2012; EXCL-II/QEQ-COM/0394/2012; INCENTIVO/EQB/LA0006/2014; SFRH/BD/78397/2011; SFRH/BPD/94883/2013
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Wiley Interdisciplinary Reviews: Computational Molecular Science
Additional Journal Information:
Journal Name: Wiley Interdisciplinary Reviews: Computational Molecular Science Journal Volume: 7 Journal Issue: 2; Journal ID: ISSN 1759-0876
Publisher:
Wiley Blackwell (John Wiley & Sons)
Country of Publication:
United States
Language:
English

Citation Formats

Sousa, Sérgio Filipe, Ribeiro, António J. M., Neves, Rui P. P., Brás, Natércia F., Cerqueira, Nuno M. F. S. A., Fernandes, Pedro A., and Ramos, Maria João. Application of quantum mechanics/molecular mechanics methods in the study of enzymatic reaction mechanisms: Application of QM/MM methods. United States: N. p., 2016. Web. doi:10.1002/wcms.1281.
Sousa, Sérgio Filipe, Ribeiro, António J. M., Neves, Rui P. P., Brás, Natércia F., Cerqueira, Nuno M. F. S. A., Fernandes, Pedro A., & Ramos, Maria João. Application of quantum mechanics/molecular mechanics methods in the study of enzymatic reaction mechanisms: Application of QM/MM methods. United States. doi:10.1002/wcms.1281.
Sousa, Sérgio Filipe, Ribeiro, António J. M., Neves, Rui P. P., Brás, Natércia F., Cerqueira, Nuno M. F. S. A., Fernandes, Pedro A., and Ramos, Maria João. Thu . "Application of quantum mechanics/molecular mechanics methods in the study of enzymatic reaction mechanisms: Application of QM/MM methods". United States. doi:10.1002/wcms.1281.
@article{osti_1400800,
title = {Application of quantum mechanics/molecular mechanics methods in the study of enzymatic reaction mechanisms: Application of QM/MM methods},
author = {Sousa, Sérgio Filipe and Ribeiro, António J. M. and Neves, Rui P. P. and Brás, Natércia F. and Cerqueira, Nuno M. F. S. A. and Fernandes, Pedro A. and Ramos, Maria João},
abstractNote = {},
doi = {10.1002/wcms.1281},
journal = {Wiley Interdisciplinary Reviews: Computational Molecular Science},
number = 2,
volume = 7,
place = {United States},
year = {Thu Sep 01 00:00:00 EDT 2016},
month = {Thu Sep 01 00:00:00 EDT 2016}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record at 10.1002/wcms.1281

Citation Metrics:
Cited by: 8 works
Citation information provided by
Web of Science

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Works referenced in this record:

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