Performance evaluation of molecular docking and free energy calculations protocols using the D3R Grand Challenge 4 dataset

2019 | journal article

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​Performance evaluation of molecular docking and free energy calculations protocols using the D3R Grand Challenge 4 dataset​
Elisée, E.; Gapsys, V. ; Mele, N.; Chaput, L.; Selwa, E.; de Groot, B. L.   & Iorga, B. I.​ (2019) 
Journal of Computer-Aided Molecular Design33(12) pp. 1031​-1043​.​ DOI: https://doi.org/10.1007/s10822-019-00232-w 

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Authors
Elisée, Eddy; Gapsys, Vytautas ; Mele, Nawel; Chaput, Ludovic; Selwa, Edithe; de Groot, Bert L. ; Iorga, Bogdan I.
Issue Date
2019
Journal
Journal of Computer-Aided Molecular Design 
ISSN
0920-654X
eISSN
1573-4951
Language
English

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