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

Flavio Forti, Leonardo Boechi, Dario A. Estrin, Marcelo A. Marti. Comparing and combining implicit ligand sampling with multiple steered molecular dynamics to study ligand migration processes in heme proteins. Journal of Computational Chemistry, 32(10):2219-2231, 2011. [doi]

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