Chasing allosteric inhibition of the SARS-CoV-2 PLpro via molecular dynamics simulations with flooding fragments (MDFFr)

  1. Jason Pattis
  2. Khaled Elokely
  3. Eleonora Gianti
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  1. Version published to 10.1007/s10822-025-00730-0
  2. Version published to 10.21203/rs.3.rs-7499914/v1 on Research Square