Introducing VIKING: A Novel Online Platform for Multiscale Modeling

Vasili Korol; Peter Husen; Emil Sjulstok; Claus Nielsen; Ida Friis; Anders Frederiksen; Adrian B. Salo; Ilia A. Solov'Yov

doi:10.1021/acsomega.9b03802

Introducing VIKING: A Novel Online Platform for Multiscale Modeling

Vasili Korol
, Peter Husen
, Emil Sjulstok^*
, Claus Nielsen
, Ida Friis
, Anders Frederiksen
, Adrian B. Salo
, Ilia A. Solov'Yov

^*Kontaktforfatter

Institut for Fysik, Kemi og Farmaci

University of Texas at Dallas
University of Oldenburg

Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › peer review

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Abstract

Various biochemical and biophysical processes, occurring on multiple time and length scales, can nowadays be studied using specialized software packages on supercomputer clusters. The complexity of such simulations often requires application of different methods in a single study and strong computational expertise. We have developed VIKING, a convenient web platform for carrying out multiscale computations on supercomputers. VIKING allows combining methods in standardized workflows, making complex simulations accessible to a broader biochemical and biophysical society.

Originalsprog	Engelsk
Tidsskrift	ACS Omega
Vol/bind	5
Udgave nummer	2
Sider (fra-til)	1254-1260
Antal sider	7
ISSN	2470-1343
DOI	https://doi.org/10.1021/acsomega.9b03802
Status	Udgivet - 2020

Finansiering

The Supporting Information is available free of charge at https://pubs.acs.org/doi/10.1021/acsomega.9b03802 . Descriptions of the individual tasks in the VIKING benchmarking experiment; participant expertise self-estimation and measured times; illustrations of the input structures for the tasks; and workflow diagrams of the different task types supported by VIKING ( PDF ) The authors declare no competing financial interest. Financial support by the Lundbeck Foundation, the Danish Councils for Independent Research, Volkswagen Stiftung (Lichtenberg professorship to IAS), and the DFG (GRK1885) is greatly acknowledged. Computational resources for the simulations were provided by the DeiC National HPC Center, University of Southern Denmark. This publication is based upon work from COST Action TUMIEE (CA17126), supported by COST (European Cooperation in Science and Technology).

Dokumenter og links

10.1021/acsomega.9b03802Licens: CC BY

Open Access VersionForlagets udgivne version, 2,95 MBLicens: CC BY

SDU link

Tjek adgangen til materialet i Syddansk Universitetsbiblioteks søgemaskine

Citationsformater

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Introducing VIKING: A Novel Online Platform for Multiscale Modeling

Abstract

Finansiering

Dokumenter og links

SDU link

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