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How experiments and molecular simulations can help understand selective C25-hydroxylation of vitamin D by fungal peroxygenases

Author

Lucas, Fatima

Babot, Esteban D.

Cañellas, Marina

del Río, José C.

Kalum, Lisbeth

Ullrich, René

Hofrichter, Martin

Martínez, Angel T.

Gutiérrez, Ana

Other authors

Barcelona Supercomputing Center

Publication date

2016-02-01

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Abstract

Postprint (published version)

Document Type

Conference lecture

Language

English

Subjects and keywords

Àrees temàtiques de la UPC::Enginyeria biomèdica; Molecular dynamics; Simulations; Atoms--Research; Cholecalciferol; Ergocalciferol; Molecular simulations; Dinàmica molecular; Àtoms; Simulació, Mètodes de

Related items

http://bifi.es/events/bifi2016/sites/default/files/book_of_abstracts_2016.pdf

info:eu-repo/grantAgreement/EC/FP7/250277/EU/P.E.L.E (Protein Energy Landscape Exploration): a la carte drug design tools/PELE

info:eu-repo/grantAgreement/MICINN//BIO2011-26694/ES/BUSQUEDA E INGENIERIA DE NUEVAS PEROXIDASAS FUNGICAS DE ALTO POTENCIAL REDOX/

info:eu-repo/grantAgreement/MINECO//CTQ2013-48287-R/ES/DISENYO COMPUTACIONAL RACIONAL DE OXIDOREDUCTASAS PARA APLICACIONES INDUSTRIALES Y TECNOLOGICAS/

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DIDL MARC MARC_CCUC METS OAI_DC ORE QDC RDF

Rights

Open Access

This item appears in the following Collection(s)

E-prints [73034]