Learning protein-ligand binding affinity with atomic environment vectors

Scoring functions for the prediction of protein-ligand binding affinity have seen renewed interest in recent years when novel machine learning and deep learning methods started to consistently outperform classical scoring functions. Here we explore the use of atomic environment vectors (AEVs) and fe...

Cur síos iomlán

Sonraí bibleagrafaíochta
Príomhchruthaitheoirí: Meli, Rocco, Anighoro, Andrew, Bodkin, Mike J., Morris, Garrett M., Biggin, Philip C.
Formáid: Online Alt Téacs
Teanga:English
Foilsithe / Cruthaithe: Springer International Publishing 2021
Ábhair:
Research Article
Rochtain ar líne:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8364054/
https://www.ncbi.nlm.nih.gov/pubmed/34391475
http://dx.doi.org/10.1186/s13321-021-00536-w

Ar líne

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8364054/
https://www.ncbi.nlm.nih.gov/pubmed/34391475
http://dx.doi.org/10.1186/s13321-021-00536-w

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