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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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| Publicado no: | J Chem Inf Model |
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| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2019
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| Assuntos: | |
| Acesso em linha: | 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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