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wFReDoW: A Cloud-Based Web Environment to Handle Molecular Docking Simulations of a Fully Flexible Receptor Model

Molecular docking simulations of fully flexible protein receptor (FFR) models are coming of age. In our studies, an FFR model is represented by a series of different conformations derived from a molecular dynamic simulation trajectory of the receptor. For each conformation in the FFR model, a dockin...

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Autors principals: De Paris, Renata, Frantz, Fábio A., Norberto de Souza, Osmar, Ruiz, Duncan D. A.
Format: Artigo
Idioma:Inglês
Publicat: Hindawi Publishing Corporation 2013
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Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC3652109/
https://ncbi.nlm.nih.gov/pubmed/23691504
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1155/2013/469363
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