Fast and accurate determination of the relative binding affinities of small compounds to HIV-1 protease using non-equilibrium work
© 2016 Wiley Periodicals, Inc.
| Publié dans: | Journal of computational chemistry. - 1984. - 37(2016), 31 vom: 05. Dez., Seite 2734-2742 |
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| Auteur principal: | |
| Autres auteurs: | , |
| Format: | Article en ligne |
| Langue: | English |
| Publié: |
2016
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| Accès à la collection: | Journal of computational chemistry |
| Sujets: | Journal Article Research Support, Non-U.S. Gov't HIV-1 protease fast pulling ligand nature of binding non-equilibrium molecular dynamics non-equilibrium work relative binding affinity rupture force steered molecular dynamics plus... |
| Accès en ligne |
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