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SNP2SIM: a modular workflow for standardizing molecular simulation and functional analysis of protein variants.
Matthew McCoy
Vikram Shivakumar
Sridhar Nimmagadda
Mohsin Saleet Jafri
Subha Madhavan
Published in:
BMC Bioinform. (2019)
Keyphrases
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functional analysis
molecular dynamics
molecular dynamics simulations
drug discovery
molecular structures
drug design
virtual screening
scientific data
three dimensional
protein protein
protein protein interactions
protein function prediction
high performance computing
protein folding
sequence analysis