gRINN: a tool for calculation of residue interaction energies and protein energy network analysis of molecular dynamics simulations
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DOI: 10.1093/nar/gky381
Abstract: Abstract Atomistic molecular dynamics (MD) simulations generate a wealth of information related to the dynamics of proteins. If properly analyzed, this information can lead to new insights regarding protein function and assist wet-lab experiments. Aiming… read more here.
Keywords: residue interaction; energy; analysis; grinn ... See more keywords