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The Impact of Protein Structure and Sequence Similarity on the Accuracy of Machine-Learning Scoring Functions for Binding Affinity Prediction

It has recently been claimed that the outstanding performance of machine-learning scoring functions (SFs) is exclusively due to the presence of training complexes with highly similar proteins to those in the test set. Here, we revisit this question using 24 similarity-based training sets, a widely u...

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Detalhes bibliográficos
Publicado no:Biomolecules
Main Authors: Li, Hongjian, Peng, Jiangjun, Leung, Yee, Leung, Kwong-Sak, Wong, Man-Hon, Lu, Gang, Ballester, Pedro J.
Formato: Artigo
Idioma:Inglês
Publicado em: MDPI 2018
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5871981/
https://ncbi.nlm.nih.gov/pubmed/29538331
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/biom8010012
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