Benchmarking the performance of irregular computations in AutoDock-GPU molecular docking-Reference-Cited by-同舟云学术

Benchmarking the performance of irregular computations in AutoDock-GPU molecular docking

Published:2022-03 Issue: Volume:109 Page:102861
ISSN:0167-8191
Container-title:Parallel Computing
language:en
Short-container-title:Parallel Computing

Author:

Solis-Vasquez Leonardo^ORCID,Tillack Andreas F.,Santos-Martins Diogo,Koch Andreas,LeGrand Scott,Forli Stefano

Funder

National Institutes of Health

Publisher

Elsevier BV

Subject

Artificial Intelligence,Computer Graphics and Computer-Aided Design,Computer Networks and Communications,Hardware and Architecture,Theoretical Computer Science,Software

Reference64 articles.

1. Leibniz Supercomputing Centre, Scientific Application Packages, https://doku.lrz.de/display/PUBLIC/Scientific+Application+Packages.

2. Louisiana State University: High Performance Computing, Alphabetical List of Software, http://www.hpc.lsu.edu/docs/guides/index.php#Chemistry.

3. Max Planck Computing & Data Facility, HPC Application Packages, https://www.mpcdf.mpg.de/services/computing/software/hpc_application_packages.html.

4. BioWulf: High Performance Computing at the NIH, Scientific Applications on NIH HPC Systems, https://hpc.nih.gov/apps.

5. University of North Texas: High Performance Computing, Scientific Software Guide, https://hpc.unt.edu/software?field_research_area_value=chem.

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