| Id |
Subject |
Object |
Predicate |
Lexical cue |
| TextSentencer_T1 |
0-57 |
Sentence |
denotes |
Molecular modelling of protein-carbohydrate interactions. |
| T1 |
0-57 |
Sentence |
denotes |
Molecular modelling of protein-carbohydrate interactions. |
| T1 |
0-57 |
Sentence |
denotes |
Molecular modelling of protein-carbohydrate interactions. |
| TextSentencer_T2 |
58-123 |
Sentence |
denotes |
Docking of monosaccharides in the binding site of concanavalin A. |
| T2 |
58-123 |
Sentence |
denotes |
Docking of monosaccharides in the binding site of concanavalin A. |
| T2 |
58-123 |
Sentence |
denotes |
Docking of monosaccharides in the binding site of concanavalin A. |
| TextSentencer_T3 |
124-233 |
Sentence |
denotes |
A general procedure is described for addressing the computer simulation of protein-carbohydrate interactions. |
| T3 |
124-233 |
Sentence |
denotes |
A general procedure is described for addressing the computer simulation of protein-carbohydrate interactions. |
| T3 |
124-233 |
Sentence |
denotes |
A general procedure is described for addressing the computer simulation of protein-carbohydrate interactions. |
| TextSentencer_T4 |
234-473 |
Sentence |
denotes |
First, a molecular mechanical force field capable of performing conformational analysis of oligosaccharides has been derived by the addition of new parameters to the Tripos force field; it is also compatible with the simulation of protein. |
| T4 |
234-473 |
Sentence |
denotes |
First, a molecular mechanical force field capable of performing conformational analysis of oligosaccharides has been derived by the addition of new parameters to the Tripos force field; it is also compatible with the simulation of protein. |
| T4 |
234-473 |
Sentence |
denotes |
First, a molecular mechanical force field capable of performing conformational analysis of oligosaccharides has been derived by the addition of new parameters to the Tripos force field; it is also compatible with the simulation of protein. |
| TextSentencer_T5 |
474-630 |
Sentence |
denotes |
Second, a docking procedure which allows for a systematic exploration of the orientations and positions of a ligand into a protein cavity has been designed. |
| T5 |
474-630 |
Sentence |
denotes |
Second, a docking procedure which allows for a systematic exploration of the orientations and positions of a ligand into a protein cavity has been designed. |
| T5 |
474-630 |
Sentence |
denotes |
Second, a docking procedure which allows for a systematic exploration of the orientations and positions of a ligand into a protein cavity has been designed. |
| TextSentencer_T6 |
631-787 |
Sentence |
denotes |
This so-called 'crankshaft' method uses rotations and variations about/of virtual bonds connecting, via dummy atoms, the ligand to the protein binding site. |
| T6 |
631-787 |
Sentence |
denotes |
This so-called 'crankshaft' method uses rotations and variations about/of virtual bonds connecting, via dummy atoms, the ligand to the protein binding site. |
| T6 |
631-787 |
Sentence |
denotes |
This so-called 'crankshaft' method uses rotations and variations about/of virtual bonds connecting, via dummy atoms, the ligand to the protein binding site. |
| TextSentencer_T7 |
788-874 |
Sentence |
denotes |
Third, calculation of the relative stability of protein ligand complexes is performed. |
| T7 |
788-874 |
Sentence |
denotes |
Third, calculation of the relative stability of protein ligand complexes is performed. |
| T7 |
788-874 |
Sentence |
denotes |
Third, calculation of the relative stability of protein ligand complexes is performed. |
| TextSentencer_T8 |
875-1068 |
Sentence |
denotes |
This strategy has been applied to search for all favourable interactions occurring between a lectin [concanavalin A (ConA)] and methyl alpha-D-mannopyranoside or methyl alpha-D-glucopyranoside. |
| T8 |
875-1068 |
Sentence |
denotes |
This strategy has been applied to search for all favourable interactions occurring between a lectin [concanavalin A (ConA)] and methyl alpha-D-mannopyranoside or methyl alpha-D-glucopyranoside. |
| T8 |
875-1068 |
Sentence |
denotes |
This strategy has been applied to search for all favourable interactions occurring between a lectin [concanavalin A (ConA)] and methyl alpha-D-mannopyranoside or methyl alpha-D-glucopyranoside. |
| TextSentencer_T9 |
1069-1183 |
Sentence |
denotes |
For each monosaccharide, different stable orientations and positions within the binding site can be distinguished. |
| T9 |
1069-1183 |
Sentence |
denotes |
For each monosaccharide, different stable orientations and positions within the binding site can be distinguished. |
| T9 |
1069-1183 |
Sentence |
denotes |
For each monosaccharide, different stable orientations and positions within the binding site can be distinguished. |
| TextSentencer_T10 |
1184-1332 |
Sentence |
denotes |
Among them, one corresponds to very favourable interactions, not only in terms of hydrogen bonding, but also in terms of van der Waals interactions. |
| T10 |
1184-1332 |
Sentence |
denotes |
Among them, one corresponds to very favourable interactions, not only in terms of hydrogen bonding, but also in terms of van der Waals interactions. |
| T10 |
1184-1332 |
Sentence |
denotes |
Among them, one corresponds to very favourable interactions, not only in terms of hydrogen bonding, but also in terms of van der Waals interactions. |
| TextSentencer_T11 |
1333-1510 |
Sentence |
denotes |
It corresponds precisely to the binding mode of methyl alpha-D-mannopyranoside into ConA as revealed by the 2.9 A resolution of the crystalline complex (Derewenda et al., 1989). |
| T11 |
1333-1510 |
Sentence |
denotes |
It corresponds precisely to the binding mode of methyl alpha-D-mannopyranoside into ConA as revealed by the 2.9 A resolution of the crystalline complex (Derewenda et al., 1989). |
| T11 |
1333-1510 |
Sentence |
denotes |
It corresponds precisely to the binding mode of methyl alpha-D-mannopyranoside into ConA as revealed by the 2.9 A resolution of the crystalline complex (Derewenda et al., 1989). |
| TextSentencer_T12 |
1511-1688 |
Sentence |
denotes |
Some implications of the present modelling study with respect to the molecular basis of the specificity of the interaction of lectins with various monosaccharides are presented. |
| T12 |
1511-1688 |
Sentence |
denotes |
Some implications of the present modelling study with respect to the molecular basis of the specificity of the interaction of lectins with various monosaccharides are presented. |
| T12 |
1511-1688 |
Sentence |
denotes |
Some implications of the present modelling study with respect to the molecular basis of the specificity of the interaction of lectins with various monosaccharides are presented. |