Bogdan I. Iorga

The authors of the paper have contacted me et they agreed with the use of PFM-4 for this enzyme from now on. @danielhhaft and @agmcarthur, can you please add this...

Thanks @danielhhaft and @arpcard !

Hi @agmcarthur , OXA-116 has been superseded by OXA-698, which contains the full sequence. All the best, Bogdan

Hi Brian, To my knowledge there is not such a list. Over the time I tried to gather all the information available from different places and include it in the...

All OXY beta-lactamases that I mentioned in my previous message are now present in the last ([2022-10-11](https://ftp.ncbi.nlm.nih.gov/pathogen/Antimicrobial_resistance/Data/2022-10-11.2/)) NCBI's AMRDB release, including OXY-1-15 and OXY-6-8. Only OXY-2-29 is currently assigned, but...

@rsexton2 Please check with @VOD555 for allowed values, but I don't think that solvent_name should be "OcOH", I would say rather "octanol", or better nothing, in this latter case it...

@orbeckst Given that we generally use MDPOW for simulating neutral compounds, this problem should not matter. But we have never said explicitely that MDPOW handles only neutral compounds, so in...

Both options are fine for me. Probably use _watermodel_ as equivalent to _solventmodel_ is better, as in reality _solventmodel_ is a synonym of _watermodel_, but with broader applicability.