Exploració per tema "binding free energy"
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Toward quantitative estimates of binding affinities for protein-ligand systems involving large inhibitor compounds: A steered molecular dynamics simulation route
(2013-07)
Article
Accés restringit per política de l'editorialUnderstanding binding mechanisms between enzymes and potential inhibitors and quantifying protein–ligand affinities in terms of binding free energy is of primary importance in drug design studies. In this respect, several ...