3 Result(s)
within
Natarajan Arul Murugan
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Chapter and Conference Paper
Breaking Down the Parallel Performance of GROMACS, a High-Performance Molecular Dynamics Software
GROMACS is one of the most widely used HPC software packages using the Molecular Dynamics (MD) simulation technique. In this work, we quantify GROMACS parallel performance using different configurations, HPC s...
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Article
Applying polypharmacology approach for drug repurposing for SARS-CoV2
Exploring the new therapeutic indications of known drugs for treating COVID-19, popularly known as drug repurposing, is emerging as a pragmatic approach especially owing to the mounting pressure to control the...
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Article
Open AccessSearching for target-specific and multi-targeting organics for Covid-19 in the Drugbank database with a double scoring approach
The current outbreak of Covid-19 infection due to SARS-CoV-2, a virus from the coronavirus family, has become a major threat to human healthcare. The virus has already infected more than 44 M people and the nu...
