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Editorial

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

Savíns Puertas-Martína Supercomputing - Algorithms Research Group (SAL), University of Almería, Agrifood Campus of International Excellence, Almería, Spain

https://orcid.org/0000-0001-8956-1733 View further author information

Antonio J. Banegas-Lunab Bioinformatics and High Performance Computing Research Group (BIO-HPC), Computer Engineering Department, Universidad Católica San Antonio De Murcia (UCAM), Murcia, Spain

https://orcid.org/0000-0003-1158-8877 View further author information

María Paredes-Ramosc METMED Research Group, Physical Chemistry Department, Universidade Da Coruña (UDC), Coruña, Spain

https://orcid.org/0000-0002-4776-2868 View further author information

Juana L. Redondoa Supercomputing - Algorithms Research Group (SAL), University of Almería, Agrifood Campus of International Excellence, Almería, Spain

https://orcid.org/0000-0003-2826-1635 View further author information

Pilar M. Ortigosaa Supercomputing - Algorithms Research Group (SAL), University of Almería, Agrifood Campus of International Excellence, Almería, Spain

https://orcid.org/0000-0001-6514-6543 View further author information

Ol’ha O. Brovarets'd Department of Molecular and Quantum Biophysics, Institute of Molecular Biology and Genetics, National Academy of Sciences of Ukraine, Kyiv, Ukraine

https://orcid.org/0000-0002-8929-293X View further author information

Horacio Pérez-Sánchezb Bioinformatics and High Performance Computing Research Group (BIO-HPC), Computer Engineering Department, Universidad Católica San Antonio De Murcia (UCAM), Murcia, SpainCorrespondence[email protected]

https://orcid.org/0000-0003-4468-7898 View further author information

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Figures & data

Figure 1. Execution time (in seconds) of six metaheuristic algorithms applied on a molecular docking task performed on a COMT dataset of DUD (http://dud.docking.org).

Table 1. Execution time (in seconds) of six metaheuristic algorithms applied on a molecular docking task performed on a COMT target dataset of DUD.

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

Table 1. Execution time (in seconds) of six metaheuristic algorithms applied on a molecular docking task performed on a COMT target dataset of DUD.

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

Figures & data

Table 1. Execution time (in seconds) of six metaheuristic algorithms applied on a molecular docking task performed on a COMT target dataset of DUD.

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