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Insights into scFv:drug binding using the molecular dynamics simulation and free energy calculation
Molecular dynamics simulations and free energy calculation have been performed to study how the single-chain variable fragment (scFv) binds Methamphetamine (METH) and Amphetamine (AMP). The structures of the scFv:METH and the scFv:AMP complexes are analyzed by examining the time-dependence of their...
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| Auteurs principaux: | , , |
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| Format: | Artigo |
| Langue: | Inglês |
| Publié: |
2010
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| Sujets: | |
| Accès en ligne: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3144287/ https://ncbi.nlm.nih.gov/pubmed/21110054 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s00894-010-0892-4 |
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