Jiménez Luna, José, 1993-; Pérez Benito, Laura; Martínez Rosell, Gerard, 1990-; Sciabola, Simone; Torella, Rubben; Tresadern, Gary; De Fabritiis, Gianni
(Royal Society of Chemistry, 2019)
The capability to rank different potential drug molecules against a protein target for potency has always been a fundamental challenge in computational chemistry due to its importance in drug design. While several ...