{"id":"W3202287440","doi":"10.1021/acs.jctc.1c00645","title":"gmx_MMPBSA: A New Tool to Perform End-State Free Energy Calculations with GROMACS","year":2021,"lang":"en","type":"article","venue":"Journal of Chemical Theory and Computation","topic":"Spectroscopy and Quantum Chemical Studies","field":"Physics and Astronomy","cited_by":3054,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto; University of Calgary","funders":"Universidad de Medellín; University of Calgary","keywords":"Computer science; Computational science; Solvation; Physics; Molecule; Quantum mechanics","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null}