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. 2020 Sep 15;153(11):115101. doi: 10.1063/5.0020458

TABLE I.

Acronyms used in this work.

Acronym Full name
SARS Severe acute respiratory syndrome
MERS Middle East respiratory syndrome
CoV Coronavirus
CoV-2 Coronavirus 2
PLpro Papain-like protease
BL2 Flexible blocking loop 2
Ubl Ubiquitin-like
GPU Graphical processing unit
MD Molecular dynamics
CpHMD Continuous constant pH molecular dynamics
GB Generalized Born
PB Poisson–Boltzmann