LAUSR

WaterKit: Thermodynamic Profiling of Protein Hydration Sites.

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2 Published in 2023 at "Journal of chemical theory and computation"

DOI: 10.1021/acs.jctc.2c01087

Abstract: Water desolvation is one of the key components of the free energy of binding of small molecules to their receptors. Thus, understanding the energetic balance of solvation and desolvation resulting from individual water molecules can… read more here.

Keywords: waterkit thermodynamic; protein hydration; water; water molecules ... See more keywords