Llwytho...
Trypsin-Ligand Binding Free Energy Calculation with AMOEBA
The binding free energies of several benzamidine-like inhibitors to trypsin were examined using a polarizable potential. All the computed binding free energies are in good agreement with the experimental data. From free energy decomposition, electrostatic interaction was found to be the driving forc...
Wedi'i Gadw mewn:
| Prif Awduron: | , , , |
|---|---|
| Fformat: | Artigo |
| Iaith: | Inglês |
| Cyhoeddwyd: |
2009
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| Pynciau: | |
| Mynediad Ar-lein: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2819397/ https://ncbi.nlm.nih.gov/pubmed/19965178 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1109/IEMBS.2009.5335108 |
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