GPU-optimized approaches to molecular docking-based virtual screening in drug discovery: A comparative analysis-Reference-Cited by-同舟云学术

GPU-optimized approaches to molecular docking-based virtual screening in drug discovery: A comparative analysis

Published:2024-04 Issue: Volume:186 Page:104819
ISSN:0743-7315
Container-title:Journal of Parallel and Distributed Computing
language:en
Short-container-title:Journal of Parallel and Distributed Computing

Author:

Vitali Emanuele,Ficarelli Federico,Bisson Mauro,Gadioli Davide^ORCID,Accordi Gianmarco^ORCID,Fatica Massimiliano^ORCID,Beccari Andrea R.,Palermo Gianluca^ORCID

Publisher

Elsevier BV

Subject

Artificial Intelligence,Computer Networks and Communications,Hardware and Architecture,Theoretical Computer Science,Software

Reference46 articles.

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1. HyperQueue: Efficient and ergonomic task graphs on HPC clusters;SoftwareX;2024-09

2. Insight into the Binding Interaction between PEDCs and hERRγ Utilizing Molecular Docking and Molecular Dynamics Simulations;Molecules;2024-07-10

3. Out of kernel tuning and optimizations for portable large-scale docking experiments on GPUs;The Journal of Supercomputing;2024-02-02

4. A Portable Drug Discovery Platform for Urgent Computing;Procedia Computer Science;2024