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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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Shranjeno v:
Bibliografske podrobnosti
izdano v:Biomolecules
Main Authors: Li, Hongjian, Peng, Jiangjun, Leung, Yee, Leung, Kwong-Sak, Wong, Man-Hon, Lu, Gang, Ballester, Pedro J.
Format: Artigo
Jezik:Inglês
Izdano: MDPI 2018
Teme:
Online dostop: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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