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Heterogeneous Dielectric Implicit Membrane Model for the Calculation of MMPBSA Binding Free Energies
Membrane-bound protein receptors are a primary biological drug target, but the computational analysis of membrane proteins has been limited. In order to improve molecular mechanics Poisson–Boltzmann surface area (MMPBSA) binding free energy calculations for membrane protein–ligand systems, we have o...
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| Publicat a: | J Chem Inf Model |
|---|---|
| Autors principals: | , , , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
2019
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7197397/ https://ncbi.nlm.nih.gov/pubmed/31145610 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.9b00363 |
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