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. 2021 Jul 15;35(8):911–921. doi: 10.1007/s10822-021-00406-5

Table 2.

Entropy components of unbound and bound host and associated water (J K−1 mol−1)

H H-G1 H-G2 H-G3 H-G4 H-G5 H-G6 H-G7
SH,Mtransvib 70 70 69 69 69 68 69 69
SH,Mrovib 74 73 73 73 73 73 74 73
SH,UAtransvib 662 659 656 660 659 661 658 658
SH,UArovib 159 159 160 158 158 159 158 160
SHconf 0 0 0 0 0 0 0 0
SWStransvib 4079 3566 3440 3505 3526 3583 3555 3507
SWSrovib 1515 1310 1253 1275 1290 1312 1232 1270
SWSor 251 648 632 638 652 661 647 635
N WS 87.4 76.4 73.7 75.2 75.4 76.9 76.2 75.3
SWBtransvib 516 644 573 563 491 525 569
SWBrovib 190 238 211 208 181 194 210
SWBor 123 153 136 134 117 125 135
NWB 11.0 13.7 12.2 12.0 10.5 11.2 12.1