Efficient calculation of relative binding free energies by umbrella sampling perturbation
© 2014 Wiley Periodicals, Inc.
| Publié dans: | Journal of computational chemistry. - 1984. - 35(2014), 31 vom: 05. Dez., Seite 2256-62 |
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| Auteur principal: | |
| Autres auteurs: | |
| Format: | Article en ligne |
| Langue: | English |
| Publié: |
2014
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| Accès à la collection: | Journal of computational chemistry |
| Sujets: | Journal Article Research Support, Non-U.S. Gov't alanine scan drug design free energy perturbation ligand-receptor binding molecular dynamics simulation potential of mean force Peptides Alanine |
| Accès en ligne |
Volltext |