Energy-based tuning of metaheuristics for molecular docking on multi-GPUs-Reference-Cited by-同舟云学术

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Energy-based tuning of metaheuristics for molecular docking on multi-GPUs

Published:2018-05-25 Issue:17 Volume:30 Page:e4684
ISSN:1532-0626
Container-title:Concurrency and Computation: Practice and Experience
language:en
Short-container-title:Concurrency Computat Pract Exper

Author:

Pérez-Serrano J.¹,Imbernón B.²,Cecilia J.M.²,Ujaldón M.¹^ORCID

Affiliation:

1. Department of Computer Architecture; University of Malaga; Malaga Spain

2. Department of Computer Science; Catholic University San Antonio of Murcia; Murcia Spain

Funder

Ministerio de Educación, Cultura y Deporte

Consejería de Economía, Innovación, Ciencia y Empleo, Junta de Andalucía

Nvidia

Publisher

Wiley

Subject

Computational Theory and Mathematics,Computer Networks and Communications,Computer Science Applications,Theoretical Computer Science,Software

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/cpe.4684/fullpdf

Reference55 articles.

1. A decade of fragment-based drug design: strategic advances and lessons learned;Hajduk;Nat Rev Drug Discovery,2007

2. The many roles of computation in drug discovery;Jorgensen;Science,2004

3. Structure-based discovery of clinically approved drugs as Zika virus NS2B-NS3 protease inhibitors that potently inhibit Zika virus infection in vitro and in vivo;Yuan;Antiviral Res,2017

4. Virtual screening for the discovery of bioactive natural products

5. ZINC-a free database of commercially available compounds for virtual screening;Irwin;J Chem Inf Model,2005

Cited by 6 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. On the role of metaheuristic optimization in bioinformatics;International Transactions in Operational Research;2022-06-16

2. The transformational role of GPU computing and deep learning in drug discovery;Nature Machine Intelligence;2022-03-23

3. GPU-Accelerated Flexible Molecular Docking;The Journal of Physical Chemistry B;2021-01-26

4. Exploiting Heterogeneous Parallelism on Hybrid Metaheuristics for Vector Autoregression Models;Electronics;2020-10-27

5. Bio-inspired optimization for the molecular docking problem: State of the art, recent results and perspectives;Applied Soft Computing;2019-06

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