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Processing Multi-mode Binding Situations in Simulation-based Prediction of Ligand-Macromolecule Affinities
The Linear Response (LR) approximation and similar approaches belong to practical methods for estimation of ligand-receptor binding affinities. The approaches correlate experimental binding affinities with the changes upon binding of the ligand electrostatic and van der Waals energies, and of solvat...
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| Auteurs principaux: | , , , , , |
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| Format: | Artigo |
| Langue: | Inglês |
| Publié: |
2005
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| Sujets: | |
| Accès en ligne: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2896054/ https://ncbi.nlm.nih.gov/pubmed/16833982 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp051105x |
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