Virtual Screening Based on Electrostatic Similarity and Flexible Ligands
Savíns Puertas-Martín, Juana L. Redondo, Antonio J. Banegas-Luna, Ester M. Garzón, Horacio Pérez-Sánchez, Valerie J. Gillet, Pilar M. Ortigosa
Book:
Lecture Notes in Computer Science
(Computational Science and Its Applications – ICCSA 2022 Workshops)
Volume 13378
(2022),
p. 127
A two-layer mono-objective algorithm based on guided optimization to reduce the computational cost in virtual screening
Miriam R. Ferrández, Savíns Puertas-Martín, Juana L. Redondo, Horacio Pérez-Sánchez, Pilar M. Ortigosa
Journal:
Scientific Reports
Volume 12,
Issue 1
(2022)
Improving drug discovery through parallelism
Jerónimo S. García, Savíns Puertas-Martín, Juana L. Redondo, Juan José Moreno, Pilar M. Ortigosa
Journal:
The Journal of Supercomputing
Volume 79,
Issue 9
(2023),
p. 9538