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Mixed-solvent molecular dynamics simulation-based discovery of a putative allosteric site on regulator of G protein signaling 4.

Wallace K. B. ChanDebarati DasGuptaHeather A. CarlsonJohn R. Traynor
Published in: J. Comput. Chem. (2021)
Keyphrases
  • molecular dynamics
  • molecular dynamics simulations
  • high performance computing
  • protein folding
  • scientific data
  • fluid flow
  • databases
  • secondary structure
  • data mining
  • data collection