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Bacteriol."},{"key":"ref22\/cit22","doi-asserted-by":"crossref","first-page":"256","DOI":"10.1186\/1471-2180-12-256","volume":"12","author":"Albareda M.","year":"2012","journal-title":"BMC Microbiol."},{"key":"ref23\/cit23","doi-asserted-by":"crossref","first-page":"3297","DOI":"10.1039\/b508541a","volume":"7","author":"Weigend F.","year":"2005","journal-title":"Phys. Chem. Chem. Phys."},{"key":"ref24\/cit24","doi-asserted-by":"crossref","first-page":"2126","DOI":"10.1021\/ct400065j","volume":"9","author":"Li L.","year":"2013","journal-title":"J. Chem. Theory Comput."},{"key":"ref25\/cit25","doi-asserted-by":"crossref","first-page":"361","DOI":"10.1002\/jcc.540110311","volume":"11","author":"Breneman C. M.","year":"1990","journal-title":"J. Comput. Chem."},{"key":"ref26\/cit26","doi-asserted-by":"crossref","DOI":"10.1093\/oso\/9780198551683.001.0001","volume-title":"Atoms in Molecules: A Quantum Theory","author":"Bader R. F. 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Theory Comput."},{"key":"ref35\/cit35","doi-asserted-by":"crossref","first-page":"195","DOI":"10.1093\/bioinformatics\/bti770","volume":"22","author":"Arnold K.","year":"2006","journal-title":"Bioinformatics"},{"key":"ref36\/cit36","doi-asserted-by":"crossref","first-page":"D387","DOI":"10.1093\/nar\/gkn750","volume":"37","author":"Kiefer F.","year":"2009","journal-title":"Nucleic Acids Res."},{"key":"ref37\/cit37","doi-asserted-by":"crossref","first-page":"343","DOI":"10.1093\/bioinformatics\/btq662","volume":"27","author":"Benkert P.","year":"2011","journal-title":"Bioinformatics"},{"key":"ref38\/cit38","doi-asserted-by":"crossref","first-page":"2714","DOI":"10.1002\/elps.1150181505","volume":"18","author":"Guex N.","year":"1997","journal-title":"Electrophoresis"},{"key":"ref39\/cit39","doi-asserted-by":"crossref","first-page":"1605","DOI":"10.1002\/jcc.20084","volume":"25","author":"Pettersen E. F.","year":"2004","journal-title":"J. Comput. Chem."},{"key":"ref40\/cit40","doi-asserted-by":"crossref","first-page":"33","DOI":"10.1016\/0263-7855(96)00018-5","volume":"14","author":"Humphrey W.","year":"1996","journal-title":"J. Mol. Graphics"},{"key":"ref41\/cit41","doi-asserted-by":"crossref","first-page":"1781","DOI":"10.1002\/jcc.20289","volume":"26","author":"Phillips J. C.","year":"2005","journal-title":"J. Comput. Chem."},{"key":"ref42\/cit42","doi-asserted-by":"crossref","first-page":"3124","DOI":"10.1002\/prot.22835","volume":"78","author":"Kozakov D.","year":"2010","journal-title":"Proteins: Struct., Funct., Bioinf."},{"key":"ref43\/cit43","doi-asserted-by":"crossref","first-page":"926","DOI":"10.1063\/1.445869","volume":"79","author":"Jorgensen W. L.","year":"1983","journal-title":"J. Chem. Phys."},{"key":"ref44\/cit44","doi-asserted-by":"crossref","first-page":"10089","DOI":"10.1063\/1.464397","volume":"98","author":"Darden T.","year":"1993","journal-title":"J. Chem. Phys."},{"key":"ref45\/cit45","doi-asserted-by":"crossref","first-page":"1765","DOI":"10.1002\/jcc.20482","volume":"27","author":"Glykos N. M.","year":"2006","journal-title":"J. Comput. Chem."},{"key":"ref46\/cit46","doi-asserted-by":"crossref","first-page":"319","DOI":"10.1002\/jcc.23135","volume":"34","author":"Popov A. V.","year":"2013","journal-title":"J. Comput. Chem."},{"key":"ref47\/cit47","volume-title":"PyMOL","year":"2013"},{"key":"ref48\/cit48","doi-asserted-by":"crossref","first-page":"253","DOI":"10.1038\/nature10504","volume":"479","author":"Shomura Y.","year":"2011","journal-title":"Nature"},{"key":"ref49\/cit49","doi-asserted-by":"crossref","first-page":"109","DOI":"10.1007\/978-1-4020-4853-1_3","volume-title":"Hydrogen bonding - New insights","volume":"3","author":"Pacios L. F.","year":"2006"},{"key":"ref50\/cit50","doi-asserted-by":"crossref","first-page":"12835","DOI":"10.1021\/ja0025705","volume":"122","author":"Arnold W. D.","year":"2000","journal-title":"J. Am. Chem. Soc."},{"key":"ref51\/cit51","doi-asserted-by":"crossref","first-page":"11783","DOI":"10.1021\/jp0466892","volume":"108","author":"Pacios L. F.","year":"2004","journal-title":"J. Phys. Chem. A"},{"key":"ref52\/cit52","doi-asserted-by":"crossref","first-page":"214307","DOI":"10.1063\/1.1899103","volume":"122","author":"Pacios L. F.","year":"2005","journal-title":"J. Chem. Phys."},{"key":"ref53\/cit53","doi-asserted-by":"crossref","first-page":"16502","DOI":"10.1021\/jp960976r","volume":"100","author":"Scott A. P.","year":"1996","journal-title":"J. Phys. Chem."},{"key":"ref54\/cit54","doi-asserted-by":"crossref","first-page":"36462","DOI":"10.1074\/jbc.M109.028795","volume":"284","author":"Germer F.","year":"2009","journal-title":"J. Biol. Chem."},{"key":"ref55\/cit55","doi-asserted-by":"crossref","first-page":"4065","DOI":"10.1016\/j.febslet.2006.06.045","volume":"580","author":"Blokesch M.","year":"2006","journal-title":"FEBS Lett."},{"key":"ref56\/cit56","doi-asserted-by":"crossref","first-page":"2941","DOI":"10.1021\/bi9720078","volume":"37","author":"Drapal N.","year":"1998","journal-title":"Biochemistry"},{"key":"ref57\/cit57","doi-asserted-by":"crossref","first-page":"1305","DOI":"10.1111\/j.1365-2958.1993.tb01260.x","volume":"9","author":"Imperial J.","year":"1993","journal-title":"Mol. Microbiol."},{"key":"ref58\/cit58","doi-asserted-by":"crossref","first-page":"2159","DOI":"10.1074\/jbc.M808488200","volume":"284","author":"Ludwig M.","year":"2009","journal-title":"J. Biol. Chem."},{"key":"ref59\/cit59","unstructured":"Albareda, M.; Manyani, H.; Pacios, L. F.; Rey, L.; Brito, B.; Ruiz-Arg\u00fceso, T.; Imperial, J.; Palacios, J. M.Functional Roles of HypC and HupK in the Biosynthesis of [NiFe] Hydrogenase inRhizobium leguminosarum. 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