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Wilfredo Evangelista Falcon
Researcher at Oak Ridge National Laboratory
Publications - 2
Citations - 68
Wilfredo Evangelista Falcon is an academic researcher from Oak Ridge National Laboratory. The author has contributed to research in topics: Docking (molecular) & Thermostability. The author has an hindex of 2, co-authored 2 publications receiving 41 citations. Previous affiliations of Wilfredo Evangelista Falcon include University of Tennessee & University of Kentucky.
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Journal ArticleDOI
Ensemble Docking in Drug Discovery: How Many Protein Configurations from Molecular Dynamics Simulations are Needed To Reproduce Known Ligand Binding?
Wilfredo Evangelista Falcon,Wilfredo Evangelista Falcon,Wilfredo Evangelista Falcon,Sally R. Ellingson,Jeremy C. Smith,Jeremy C. Smith,Jerome Baudry +6 more
TL;DR: It is shown that 600 ns molecular dynamics simulations of four G-protein-coupled receptors in their membrane environments generate ensembles of protein configurations that, collectively, are selected by 70-99% of the known ligands of these proteins.
Journal ArticleDOI
Thermophilic Enzyme or Mesophilic Enzyme with Enhanced Thermostability: Can We Draw a Line?
TL;DR: A quantitative characterization of ligand binding and protein dynamics can be used to differentiate thermophilic proteins from their simply more heat-stable mesophilic counterparts.