Skip to main content
[Preprint]. 2020 May 13:10.26434/chemrxiv.12275705.v1. [Version 1] doi: 10.26434/chemrxiv.12275705

Table 2.

HSA structural quantities

Quantity Description Units
Nnbr Average # first shell neighbors None
NwwHB Average # water-water hydrogen bonds None
NswHB # solute-water hydrogen bonds kcal/mol
EnbrWW Average water-water interaction energy by neighbor Kcal/nbr
NwwHB,don # water-water hydrogen bonds donated None
NwwHB,acc # water-water hydrogen bonds accepted None
NswHB,don # solute-water hydrogen bonds donated None
NswHB,acc # solute-water hydrogen bonds accepted None
fwwHB Fraction of hydrogen-bonded neighbors None