| Id |
Subject |
Object |
Predicate |
Lexical cue |
| T186 |
0-184 |
Sentence |
denotes |
In this study, molecular modelling approaches specifically dedicated to virus-host interactions were used to unravel the antiviral mechanism of action of ATM and CLQ-OH in combination. |
| T187 |
185-349 |
Sentence |
denotes |
The study method included a first round of molecular docking, followed by MD simulations of protein-ligand interactions to assess the robustness of each model [25]. |
| T188 |
350-616 |
Sentence |
denotes |
Such computer-assisted simulations are particularly helpful for studying protein-ganglioside interactions as crystallographic approaches are usually limited to the water-soluble saccharide part of the ganglioside, neglecting the membrane embedded-ceramide part [31]. |
| T189 |
617-814 |
Sentence |
denotes |
Unfortunately, the ceramide moiety of gangliosides has a marked effect on the saccharide part with which it interacts, resulting in significant restriction of its conformational possibilities [32]. |
| T190 |
815-921 |
Sentence |
denotes |
Therefore, data obtained with oligosaccharides cannot be systematically transposed to intact gangliosides. |
| T191 |
922-1070 |
Sentence |
denotes |
Molecular modelling approaches circumvented this difficulty and enabled study of whole gangliosides in membrane-compatible conformations [16,32,33]. |
| T192 |
1071-1229 |
Sentence |
denotes |
The MD simulations performed in the present study were done on gangliosides surrounded by cholesterol and sphingomyelin, which mimic a lipid raft environment. |
