Is high performance computing a requirement for novel drug discovery and how will this impact academic efforts?-Reference-Cited by-同舟云学术

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

Published:2020-04-29 Issue:9 Volume:15 Page:981-985
ISSN:1746-0441
Container-title:Expert Opinion on Drug Discovery
language:en
Short-container-title:Expert Opinion on Drug Discovery

Author:

Puertas-Martín Savíns¹^ORCID,Banegas-Luna Antonio J.²^ORCID,Paredes-Ramos María³^ORCID,Redondo Juana L.¹^ORCID,Ortigosa Pilar M.¹^ORCID,Brovarets' Ol’ha O.⁴^ORCID,Pérez-Sánchez Horacio²^ORCID

Affiliation:

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

Publisher

Informa UK Limited

Subject

Drug Discovery

Link

https://www.tandfonline.com/doi/pdf/10.1080/17460441.2020.1758664

Reference29 articles.

1. Computational Approaches for Drug Discovery

2. Automated De Novo Drug Design: Are We Nearly There Yet?

3. Ultra-large library docking for discovering new chemotypes

4. POAP: A GNU parallel based multithreaded pipeline of open babel and AutoDock suite for boosted high throughput virtual screening

5. Accelerated Structural Bioinformatics for Drug Discovery

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