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molecular dynamics - Alternative to CGenFF for generating large ligand topology - Matter Modeling Stack Exchange
Converting CGenFF generated parameters (.str & .mol2) to gromacs topology · Issue #1062 · ParmEd/ParmEd · GitHub
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Large scale relative protein ligand binding affinities using non-equilibrium alchemy - Chemical Science (RSC Publishing) DOI:10.1039/C9SC03754C
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GitHub - jandom/paramchem: Python scrapper for paramche/cgenff server, small molecule parametrization
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