Combined docking and molecular dynamics simulations to enlighten the capacity of Pseudomonas cepacia and Candida antarctica lipases to catalyze quercetin acetylation

Christelle Bidouil (1) , Eduardo Basilio de Oliveira (2) , Latifa Chebil (1) , Elaine-Rose Maia (3) , Bernard Maigret (4) , Evelyne Ronat-Heidt (1) , Mohamed Ghoul (1) , Jean-Marc Engasser (1) , Catherine Humeau (1)

1 LIBio - Laboratoire d'Ingénierie des Biomolécules
2 UFV - Universidade Federal de Viçosa = Federal University of Viçosa
3 UnB - Universidade de Brasilia [Brasília]
4 LORIA - Laboratoire Lorrain de Recherche en Informatique et ses Applications

Domaines: Chemo-informatique; Bio-informatique [q-bio.QM]; Biotechnologie; Biotechnologies

Christelle Bidouil, Eduardo Basilio de Oliveira, Latifa Chebil, Elaine-Rose Maia, Bernard Maigret, et al.. Combined docking and molecular dynamics simulations to enlighten the capacity of Pseudomonas cepacia and Candida antarctica lipases to catalyze quercetin acetylation. Journal of Biotechnology, 2011, 156 (3), pp.203-210. ⟨10.1016/j.jbiotec.2011.09.007⟩. ⟨hal-03537581⟩