Is high performance computing a requirement for novel drug discovery and how will this impact academic efforts?

Affiliations

¹ Supercomputing - Algorithms Research Group (SAL), University of Almería, Agrifood Campus of International Excellence , Almería, Spain.
² Bioinformatics and High Performance Computing Research Group (BIO-HPC), Computer Engineering Department, Universidad Católica San Antonio De Murcia (UCAM) , Murcia, Spain.
³ METMED Research Group, Physical Chemistry Department, Universidade Da Coruña (UDC) , Coruña, Spain.
⁴ Department of Molecular and Quantum Biophysics, Institute of Molecular Biology and Genetics, National Academy of Sciences of Ukraine , Kyiv, Ukraine.

Editorial

Savíns Puertas-Martín et al. Expert Opin Drug Discov. 2020 Sep.

. 2020 Sep;15(9):981-986.

doi: 10.1080/17460441.2020.1758664. Epub 2020 Apr 29.

¹ Supercomputing - Algorithms Research Group (SAL), University of Almería, Agrifood Campus of International Excellence , Almería, Spain.
² Bioinformatics and High Performance Computing Research Group (BIO-HPC), Computer Engineering Department, Universidad Católica San Antonio De Murcia (UCAM) , Murcia, Spain.
³ METMED Research Group, Physical Chemistry Department, Universidade Da Coruña (UDC) , Coruña, Spain.
⁴ Department of Molecular and Quantum Biophysics, Institute of Molecular Biology and Genetics, National Academy of Sciences of Ukraine , Kyiv, Ukraine.

No abstract available

Keywords: Cheminformatics; drug discovery; high performance computing; machine learning; virtual screening.

Publication types