Low rotational barriers for the most dynamically active methyl groups in the proposed antiviral drugs for treatment of S...
Published in Chemical Physics Letters
A recent screening study highlighted a molecular compound, apilimod, for its efficacy against the SARS-CoV-2 virus, while another compound, tetrandrine, demonstrated a remarkable synergy with the benchmark antiviral drug, remdesivir. Here, we find that because of significantly reduced potential energy barriers, which also give rise to pronounced qu...
