Table 4 Hydrogen bond analysis of α-Lac:DOX and α-Lac:PTX complexes during the MD simulation.

From: A biophysical study on the mechanism of interactions of DOX or PTX with α-lactalbumin as a delivery carrier

α-Lac:DOX

α-Lac:PTX

Residues

% Occupancy

Residues

% Occupancy

THR 33

15.9

ASP 46

52.6

SER 47

33.8

GLU 49

44.2

GLN 54

37.4

ASN 56

36.5

ASN 56

29.6

LYS 58

49.8

LYS 58

39.1

TRP 60

24.5

TYR 103

44.9

ASN 102

75.5

  

TYR 103

27.3

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