Comparing and combining implicit ligand sampling with multiple steered molecular dynamics to study ligand migration processes in heme proteins

Comparing and combining implicit ligand sampling with multiple steered molecular dynamics to study ligand migration processes in heme proteins

Copyright © 2011 Wiley Periodicals, Inc.

Bibliographische Detailangaben
Veröffentlicht in:Journal of computational chemistry. - 1984. - 32(2011), 10 vom: 30. Juli, Seite 2219-31
1. Verfasser: Forti, Flavio (VerfasserIn)
Weitere Verfasser: Boechi, Leonardo, Estrin, Dario A, Marti, Marcelo A
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2011
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte:Journal Article Research Support, Non-U.S. Gov't AMBER CO ILS MD MSMD NO O2 cavities mehr... docking sites free energy profile implicit ligand sampling ligand migration molecular dynamics multiple steered molecular dynamics nitrophorin proteins truncated haemoglobin tunnels xenon sites Hemeproteins Ligands Nitric Oxide 31C4KY9ESH Carbon Monoxide 7U1EE4V452 Oxygen S88TT14065
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