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Inclusion of Solvation and Entropy in the Knowledge-based Scoring Function for Protein-ligand Interactions

The effects of solvation and entropy play a critical role in determining the binding free energy in protein-ligand interactions. Despite the good balance between speed and accuracy, no current knowledge-based scoring functions account for the effects of solvation and configurational entropy explicit...

Täydet tiedot

Tallennettuna:
Bibliografiset tiedot
Päätekijät: Huang, Sheng-You, Zou, Xiaoqin
Aineistotyyppi: Artigo
Kieli:Inglês
Julkaistu: 2010
Aiheet:
Linkit:https://ncbi.nlm.nih.gov/pmc/articles/PMC3199178/
https://ncbi.nlm.nih.gov/pubmed/20088605
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci9002987
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