Small ligand-globin interactions: Reviewing lessons derived from computer simulation
In this work we review the application of classical and quantum-mechanical atomistic computer simulation tools to the investigation of small ligand interaction with globins. In the first part, studies of ligand migration, with its connection to kinetic association rate constants (kon), are presented...
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| Autores principales: | , , , , , , |
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2013
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| Acceso en línea: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_15709639_v1834_n9_p1722_Capece http://hdl.handle.net/20.500.12110/paper_15709639_v1834_n9_p1722_Capece |
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