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Parameterization of an effective potential for protein–ligand binding from host–guest affinity data

Force field accuracy is still one of the “stalemates” in biomolecular modeling. Model systems with high quality experimental data are valuable instruments for the validation and improvement of effective potentials. With respect to protein–ligand binding, organic host–guest complexes have long served...

Disgrifiad llawn

Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Cyhoeddwyd yn:J Mol Recognit
Prif Awduron: Wickstrom, Lauren, Deng, Nanjie, He, Peng, Mentes, Ahmet, Nguyen, Crystal, Gilson, Michael K., Kurtzman, Tom, Gallicchio, Emilio, Levy, Ronald M.
Fformat: Artigo
Iaith:Inglês
Cyhoeddwyd: 2015
Pynciau:
Mynediad Ar-lein:https://ncbi.nlm.nih.gov/pmc/articles/PMC4715590/
https://ncbi.nlm.nih.gov/pubmed/26256816
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/jmr.2489
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