Francesc Sabanés Zariquiey, Raimondas Galvelis, Emilio Gallicchio, John D. Chodera, Thomas E. Markland, Gianni De Fabritiis. Enhancing Protein-Ligand Binding Affinity Predictions Using Neural Network Potentials. Journal of Chemical Information and Computer Sciences, 64(5):1481-1485, March 2024. [doi]
@article{ZariquieyGGCMF24,
title = {Enhancing Protein-Ligand Binding Affinity Predictions Using Neural Network Potentials},
author = {Francesc Sabanés Zariquiey and Raimondas Galvelis and Emilio Gallicchio and John D. Chodera and Thomas E. Markland and Gianni De Fabritiis},
year = {2024},
month = {March},
doi = {10.1021/acs.jcim.3c02031},
url = {https://doi.org/10.1021/acs.jcim.3c02031},
researchr = {https://researchr.org/publication/ZariquieyGGCMF24},
cites = {0},
citedby = {0},
journal = {Journal of Chemical Information and Computer Sciences},
volume = {64},
number = {5},
pages = {1481-1485},
}