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PubMed:1822243 JSONTXT

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sentences

Id Subject Object Predicate Lexical cue
TextSentencer_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.
TextSentencer_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.
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.
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.
TextSentencer_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.
TextSentencer_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.
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).
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.
T1 0-57 Sentence denotes Molecular modelling of protein-carbohydrate interactions.
T2 58-123 Sentence denotes Docking of monosaccharides in the binding site of concanavalin A.
T3 124-233 Sentence denotes A general procedure is described for addressing the computer simulation of protein-carbohydrate interactions.
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.
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.
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.
T7 788-874 Sentence denotes Third, calculation of the relative stability of protein ligand complexes is performed.
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.
T9 1069-1183 Sentence denotes For each monosaccharide, different stable orientations and positions within the binding site can be distinguished.
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.
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).
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.
T1 0-57 Sentence denotes Molecular modelling of protein-carbohydrate interactions.
T2 58-123 Sentence denotes Docking of monosaccharides in the binding site of concanavalin A.
T3 124-233 Sentence denotes A general procedure is described for addressing the computer simulation of protein-carbohydrate interactions.
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.
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.
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.
T7 788-874 Sentence denotes Third, calculation of the relative stability of protein ligand complexes is performed.
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.
T9 1069-1183 Sentence denotes For each monosaccharide, different stable orientations and positions within the binding site can be distinguished.
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.
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).
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.

GlycoBiology-FMA

Id Subject Object Predicate Lexical cue
_T1 23-30 FMAID:165447 denotes protein
_T2 23-30 FMAID:67257 denotes protein
_T3 31-43 FMAID:197276 denotes carbohydrate
_T4 31-43 FMAID:82737 denotes carbohydrate
_T5 69-84 FMAID:196730 denotes monosaccharides
_T6 69-84 FMAID:82741 denotes monosaccharides
_T7 199-206 FMAID:165447 denotes protein
_T8 199-206 FMAID:67257 denotes protein
_T9 207-219 FMAID:82737 denotes carbohydrate
_T10 207-219 FMAID:197276 denotes carbohydrate
_T11 325-341 FMAID:82742 denotes oligosaccharides
_T12 325-341 FMAID:196731 denotes oligosaccharides
_T13 465-472 FMAID:67257 denotes protein
_T14 465-472 FMAID:165447 denotes protein
_T15 597-604 FMAID:165447 denotes protein
_T16 597-604 FMAID:67257 denotes protein
_T17 605-611 FMAID:183397 denotes cavity
_T18 766-773 FMAID:67257 denotes protein
_T19 766-773 FMAID:165447 denotes protein
_T20 836-843 FMAID:67257 denotes protein
_T21 836-843 FMAID:165447 denotes protein
_T22 836-860 FMAID:67906 denotes protein ligand complexes
_T23 836-860 FMAID:165866 denotes protein ligand complexes
_T24 1078-1092 FMAID:82741 denotes monosaccharide
_T25 1078-1092 FMAID:196730 denotes monosaccharide
_T26 1465-1476 FMAID:218981 denotes crystalline
_T27 1658-1673 FMAID:196730 denotes monosaccharides
_T28 1658-1673 FMAID:82741 denotes monosaccharides

uniprot-human

Id Subject Object Predicate Lexical cue
T1 766-786 http://www.uniprot.org/uniprot/Q10586 denotes protein binding site

GlycoBiology-NCBITAXON

Id Subject Object Predicate Lexical cue
T1 253-263 http://purl.bioontology.org/ontology/NCBITAXON/127244 denotes mechanical
T2 1257-1262 http://purl.bioontology.org/ontology/NCBITAXON/62951 denotes terms
T3 1296-1301 http://purl.bioontology.org/ontology/NCBITAXON/62951 denotes terms

GO-BP

Id Subject Object Predicate Lexical cue
T1 823-843 http://purl.obolibrary.org/obo/GO_0050821 denotes stability of protein
T2 1003-1009 http://purl.obolibrary.org/obo/GO_0032259 denotes methyl
T3 1037-1043 http://purl.obolibrary.org/obo/GO_0032259 denotes methyl
T4 1381-1387 http://purl.obolibrary.org/obo/GO_0032259 denotes methyl
T5 1496-1498 http://purl.obolibrary.org/obo/GO_0004306 denotes et

GO-MF

Id Subject Object Predicate Lexical cue
T1 69-99 http://purl.obolibrary.org/obo/GO_0048029 denotes monosaccharides in the binding
T2 92-99 http://purl.obolibrary.org/obo/GO_0070026 denotes binding
T3 774-781 http://purl.obolibrary.org/obo/GO_0070026 denotes binding
T4 1149-1156 http://purl.obolibrary.org/obo/GO_0070026 denotes binding
T5 1365-1372 http://purl.obolibrary.org/obo/GO_0070026 denotes binding
T6 92-99 http://purl.obolibrary.org/obo/GO_0003680 denotes binding
T7 774-781 http://purl.obolibrary.org/obo/GO_0003680 denotes binding
T8 1149-1156 http://purl.obolibrary.org/obo/GO_0003680 denotes binding
T9 1365-1372 http://purl.obolibrary.org/obo/GO_0003680 denotes binding
T10 92-99 http://purl.obolibrary.org/obo/GO_0017091 denotes binding
T11 774-781 http://purl.obolibrary.org/obo/GO_0017091 denotes binding
T12 1149-1156 http://purl.obolibrary.org/obo/GO_0017091 denotes binding
T13 1365-1372 http://purl.obolibrary.org/obo/GO_0017091 denotes binding
T14 92-99 http://purl.obolibrary.org/obo/GO_0005488 denotes binding
T15 774-781 http://purl.obolibrary.org/obo/GO_0005488 denotes binding
T16 1149-1156 http://purl.obolibrary.org/obo/GO_0005488 denotes binding
T17 1365-1372 http://purl.obolibrary.org/obo/GO_0005488 denotes binding
T18 583-589 http://purl.obolibrary.org/obo/GO_0005488 denotes ligand
T19 752-758 http://purl.obolibrary.org/obo/GO_0005488 denotes ligand
T20 844-850 http://purl.obolibrary.org/obo/GO_0005488 denotes ligand
T21 766-781 http://purl.obolibrary.org/obo/GO_0005515 denotes protein binding

EDAM-topics

Id Subject Object Predicate Lexical cue
T1 0-19 http://edamontology.org/topic_2275 denotes Molecular modelling
T2 23-30 http://edamontology.org/topic_0078 denotes protein
T3 31-43 http://edamontology.org/topic_0152 denotes carbohydrate
T4 44-56 http://edamontology.org/topic_0602 denotes interactions
T5 199-206 http://edamontology.org/topic_0078 denotes protein
T6 207-219 http://edamontology.org/topic_0152 denotes carbohydrate
T7 220-232 http://edamontology.org/topic_0602 denotes interactions
T8 465-472 http://edamontology.org/topic_0078 denotes protein
T9 597-604 http://edamontology.org/topic_0078 denotes protein
T10 766-773 http://edamontology.org/topic_0078 denotes protein
T11 766-786 http://edamontology.org/topic_3534 denotes protein binding site
T12 836-843 http://edamontology.org/topic_0078 denotes protein
T13 935-947 http://edamontology.org/topic_0602 denotes interactions
T14 1231-1243 http://edamontology.org/topic_0602 denotes interactions
T15 1319-1331 http://edamontology.org/topic_0602 denotes interactions
T16 1554-1559 http://edamontology.org/topic_3678 denotes study
T17 1622-1633 http://edamontology.org/topic_0602 denotes interaction

EDAM-DFO

Id Subject Object Predicate Lexical cue
T1 0-19 http://edamontology.org/operation_0322 denotes Molecular modelling
T2 23-30 http://edamontology.org/data_1467 denotes protein
T3 23-30 http://edamontology.org/format_1208 denotes protein
T4 69-84 http://edamontology.org/data_2746 denotes monosaccharides
T5 126-133 http://edamontology.org/operation_3429 denotes general
T6 199-206 http://edamontology.org/format_1208 denotes protein
T7 199-206 http://edamontology.org/data_1467 denotes protein
T8 313-321 http://edamontology.org/operation_2945 denotes analysis
T9 382-392 http://edamontology.org/data_2527 denotes parameters
T10 465-472 http://edamontology.org/format_1208 denotes protein
T11 465-472 http://edamontology.org/data_1467 denotes protein
T12 597-604 http://edamontology.org/format_1208 denotes protein
T13 597-604 http://edamontology.org/data_1467 denotes protein
T14 621-629 http://edamontology.org/operation_2430 denotes designed
T15 766-773 http://edamontology.org/data_1467 denotes protein
T16 766-773 http://edamontology.org/format_1208 denotes protein
T17 766-786 http://edamontology.org/operation_2575 denotes protein binding site
T18 795-806 http://edamontology.org/operation_3438 denotes calculation
T19 836-843 http://edamontology.org/format_1208 denotes protein
T20 836-843 http://edamontology.org/data_1467 denotes protein
T21 836-850 http://edamontology.org/operation_0482 denotes protein ligand
T22 836-860 http://edamontology.org/data_2877 denotes protein ligand complexes
T23 836-860 http://edamontology.org/data_1461 denotes protein ligand complexes
T24 909-915 http://edamontology.org/operation_2421 denotes search
T25 1078-1092 http://edamontology.org/data_2746 denotes monosaccharide
T26 1257-1262 http://edamontology.org/data_0968 denotes terms
T27 1296-1301 http://edamontology.org/data_0968 denotes terms
T28 1658-1673 http://edamontology.org/data_2746 denotes monosaccharides
T29 1658-1677 http://edamontology.org/data_2898 denotes monosaccharides are

GlyTouCan-IUPAC

Id Subject Object Predicate Lexical cue
GlycanIUPAC_T1 920-923 "http://rdf.glycoinfo.org/glycan/G41652MJ" denotes all
GlycanIUPAC_T2 920-923 "http://rdf.glycoinfo.org/glycan/G20761YC" denotes all
GlycanIUPAC_T3 920-923 "http://rdf.glycoinfo.org/glycan/G19807HM" denotes all
GlycanIUPAC_T4 920-923 "http://rdf.glycoinfo.org/glycan/G20351TE" denotes all
GlycanIUPAC_T5 920-923 "http://rdf.glycoinfo.org/glycan/G71957MR" denotes all
GlycanIUPAC_T6 920-923 "http://rdf.glycoinfo.org/glycan/G59040AE" denotes all
GlycanIUPAC_T7 920-923 "http://rdf.glycoinfo.org/glycan/G14987PW" denotes all
GlycanIUPAC_T8 920-923 "http://rdf.glycoinfo.org/glycan/G95064PC" denotes all
GlycanIUPAC_T9 920-923 "http://rdf.glycoinfo.org/glycan/G39143AQ" denotes all
GlycanIUPAC_T10 920-923 "http://rdf.glycoinfo.org/glycan/G65149OO" denotes all
GlycanIUPAC_T11 920-923 "http://rdf.glycoinfo.org/glycan/G02766SY" denotes all
GlycanIUPAC_T12 920-923 "http://rdf.glycoinfo.org/glycan/G26019KJ" denotes all
GlycanIUPAC_T13 920-923 "http://rdf.glycoinfo.org/glycan/G36429CZ" denotes all
GlycanIUPAC_T14 920-923 "http://rdf.glycoinfo.org/glycan/G89633TP" denotes all
GlycanIUPAC_T15 920-923 "http://rdf.glycoinfo.org/glycan/G28494FO" denotes all
GlycanIUPAC_T16 920-923 "http://rdf.glycoinfo.org/glycan/G06219CP" denotes all
GlycanIUPAC_T17 920-923 "http://rdf.glycoinfo.org/glycan/G44237SM" denotes all
GlycanIUPAC_T18 920-923 "http://rdf.glycoinfo.org/glycan/G57948RL" denotes all
GlycanIUPAC_T19 920-923 "http://rdf.glycoinfo.org/glycan/G64016DN" denotes all
GlycanIUPAC_T20 920-923 "http://rdf.glycoinfo.org/glycan/G14536PC" denotes all
GlycanIUPAC_T21 920-923 "http://rdf.glycoinfo.org/glycan/G14356FW" denotes all
GlycanIUPAC_T22 920-923 "http://rdf.glycoinfo.org/glycan/G34565UO" denotes all
GlycanIUPAC_T23 920-923 "http://rdf.glycoinfo.org/glycan/G67124MW" denotes all
GlycanIUPAC_T24 920-923 "http://rdf.glycoinfo.org/glycan/G71457ZU" denotes all
GlycanIUPAC_T25 920-923 "http://rdf.glycoinfo.org/glycan/G55228VZ" denotes all
GlycanIUPAC_T26 920-923 "http://rdf.glycoinfo.org/glycan/G31034MJ" denotes all
GlycanIUPAC_T27 920-923 "http://rdf.glycoinfo.org/glycan/G25776IP" denotes all
GlycanIUPAC_T28 920-923 "http://rdf.glycoinfo.org/glycan/G64442BV" denotes all
GlycanIUPAC_T29 920-923 "http://rdf.glycoinfo.org/glycan/G57018LE" denotes all
GlycanIUPAC_T30 920-923 "http://rdf.glycoinfo.org/glycan/G61761GX" denotes all
GlycanIUPAC_T31 920-923 "http://rdf.glycoinfo.org/glycan/G76318UX" denotes all
GlycanIUPAC_T32 920-923 "http://rdf.glycoinfo.org/glycan/G61906ER" denotes all
GlycanIUPAC_T33 920-923 "http://rdf.glycoinfo.org/glycan/G68723GR" denotes all
GlycanIUPAC_T34 920-923 "http://rdf.glycoinfo.org/glycan/G19540LE" denotes all
GlycanIUPAC_T35 920-923 "http://rdf.glycoinfo.org/glycan/G74944PO" denotes all
GlycanIUPAC_T36 920-923 "http://rdf.glycoinfo.org/glycan/G89489ZJ" denotes all
GlycanIUPAC_T37 920-923 "http://rdf.glycoinfo.org/glycan/G04434YU" denotes all
GlycanIUPAC_T38 920-923 "http://rdf.glycoinfo.org/glycan/G21450PB" denotes all
GlycanIUPAC_T39 920-923 "http://rdf.glycoinfo.org/glycan/G93629QY" denotes all
GlycanIUPAC_T40 920-923 "http://rdf.glycoinfo.org/glycan/G02603TR" denotes all
GlycanIUPAC_T41 920-923 "http://rdf.glycoinfo.org/glycan/G40280JP" denotes all
GlycanIUPAC_T42 920-923 "http://rdf.glycoinfo.org/glycan/G95259IC" denotes all
GlycanIUPAC_T43 920-923 "http://rdf.glycoinfo.org/glycan/G26900FE" denotes all
GlycanIUPAC_T44 920-923 "http://rdf.glycoinfo.org/glycan/G21346KK" denotes all
GlycanIUPAC_T45 920-923 "http://rdf.glycoinfo.org/glycan/G62509FF" denotes all
GlycanIUPAC_T46 920-923 "http://rdf.glycoinfo.org/glycan/G83932AK" denotes all
GlycanIUPAC_T47 920-923 "http://rdf.glycoinfo.org/glycan/G96978IB" denotes all
GlycanIUPAC_T48 920-923 "http://rdf.glycoinfo.org/glycan/G34275DN" denotes all
GlycanIUPAC_T49 920-923 "http://rdf.glycoinfo.org/glycan/G07071JF" denotes all
GlycanIUPAC_T50 920-923 "http://rdf.glycoinfo.org/glycan/G80639QD" denotes all
GlycanIUPAC_T51 920-923 "http://rdf.glycoinfo.org/glycan/G99460PJ" denotes all
GlycanIUPAC_T52 920-923 "http://rdf.glycoinfo.org/glycan/G22024BZ" denotes all
GlycanIUPAC_T53 920-923 "http://rdf.glycoinfo.org/glycan/G74097ZY" denotes all
GlycanIUPAC_T54 920-923 "http://rdf.glycoinfo.org/glycan/G84439YP" denotes all
GlycanIUPAC_T55 920-923 "http://rdf.glycoinfo.org/glycan/G52207WQ" denotes all
GlycanIUPAC_T56 920-923 "http://rdf.glycoinfo.org/glycan/G90695MS" denotes all
GlycanIUPAC_T57 920-923 "http://rdf.glycoinfo.org/glycan/G50398QX" denotes all
GlycanIUPAC_T58 920-923 "http://rdf.glycoinfo.org/glycan/G12166ZT" denotes all
GlycanIUPAC_T59 920-923 "http://rdf.glycoinfo.org/glycan/G48368BR" denotes all
GlycanIUPAC_T60 920-923 "http://rdf.glycoinfo.org/glycan/G57407RW" denotes all
GlycanIUPAC_T61 920-923 "http://rdf.glycoinfo.org/glycan/G00386TY" denotes all
GlycanIUPAC_T62 920-923 "http://rdf.glycoinfo.org/glycan/G18723JK" denotes all
GlycanIUPAC_T63 920-923 "http://rdf.glycoinfo.org/glycan/G93757OR" denotes all
GlycanIUPAC_T64 920-923 "http://rdf.glycoinfo.org/glycan/G29006SI" denotes all
GlycanIUPAC_T65 920-923 "http://rdf.glycoinfo.org/glycan/G03099OQ" denotes all
GlycanIUPAC_T66 920-923 "http://rdf.glycoinfo.org/glycan/G53739OW" denotes all
GlycanIUPAC_T67 920-923 "http://rdf.glycoinfo.org/glycan/G70440ZO" denotes all
GlycanIUPAC_T68 920-923 "http://rdf.glycoinfo.org/glycan/G29951RR" denotes all
GlycanIUPAC_T69 920-923 "http://rdf.glycoinfo.org/glycan/G58402TI" denotes all
GlycanIUPAC_T70 920-923 "http://rdf.glycoinfo.org/glycan/G39875TP" denotes all
GlycanIUPAC_T71 920-923 "http://rdf.glycoinfo.org/glycan/G83439QV" denotes all
GlycanIUPAC_T72 920-923 "http://rdf.glycoinfo.org/glycan/G41762RC" denotes all
GlycanIUPAC_T73 920-923 "http://rdf.glycoinfo.org/glycan/G91604UI" denotes all
GlycanIUPAC_T74 920-923 "http://rdf.glycoinfo.org/glycan/G88447WE" denotes all
GlycanIUPAC_T75 920-923 "http://rdf.glycoinfo.org/glycan/G93634BS" denotes all
GlycanIUPAC_T76 920-923 "http://rdf.glycoinfo.org/glycan/G02587BH" denotes all
GlycanIUPAC_T77 920-923 "http://rdf.glycoinfo.org/glycan/G43511MX" denotes all
GlycanIUPAC_T78 920-923 "http://rdf.glycoinfo.org/glycan/G64958DH" denotes all
GlycanIUPAC_T79 920-923 "http://rdf.glycoinfo.org/glycan/G30384TR" denotes all
GlycanIUPAC_T80 920-923 "http://rdf.glycoinfo.org/glycan/G15624EX" denotes all
GlycanIUPAC_T81 920-923 "http://rdf.glycoinfo.org/glycan/G22706ST" denotes all
GlycanIUPAC_T82 920-923 "http://rdf.glycoinfo.org/glycan/G57408PI" denotes all
GlycanIUPAC_T83 920-923 "http://rdf.glycoinfo.org/glycan/G86403XX" denotes all
GlycanIUPAC_T84 920-923 "http://rdf.glycoinfo.org/glycan/G78043YB" denotes all
GlycanIUPAC_T85 920-923 "http://rdf.glycoinfo.org/glycan/G18952JK" denotes all
GlycanIUPAC_T86 920-923 "http://rdf.glycoinfo.org/glycan/G49020ND" denotes all
GlycanIUPAC_T87 920-923 "http://rdf.glycoinfo.org/glycan/G63590YW" denotes all
GlycanIUPAC_T88 920-923 "http://rdf.glycoinfo.org/glycan/G22793KS" denotes all
GlycanIUPAC_T89 920-923 "http://rdf.glycoinfo.org/glycan/G64134SS" denotes all
GlycanIUPAC_T90 920-923 "http://rdf.glycoinfo.org/glycan/G17338HY" denotes all
GlycanIUPAC_T91 920-923 "http://rdf.glycoinfo.org/glycan/G99745XF" denotes all
GlycanIUPAC_T92 920-923 "http://rdf.glycoinfo.org/glycan/G27782HN" denotes all
GlycanIUPAC_T93 920-923 "http://rdf.glycoinfo.org/glycan/G57496DC" denotes all
GlycanIUPAC_T94 920-923 "http://rdf.glycoinfo.org/glycan/G93169WB" denotes all
GlycanIUPAC_T95 920-923 "http://rdf.glycoinfo.org/glycan/G05518TD" denotes all
GlycanIUPAC_T96 920-923 "http://rdf.glycoinfo.org/glycan/G62603DN" denotes all
GlycanIUPAC_T97 920-923 "http://rdf.glycoinfo.org/glycan/G59574FS" denotes all
GlycanIUPAC_T98 920-923 "http://rdf.glycoinfo.org/glycan/G47567WC" denotes all

Lectin

Id Subject Object Predicate Lexical cue
Lectin_T1 1499-1501 https://acgg.asia/db/lfdb/LfDB0344 denotes al
Lectin_T2 992-996 https://acgg.asia/db/lfdb/LfDB0170 denotes ConA
Lectin_T3 1417-1421 https://acgg.asia/db/lfdb/LfDB0170 denotes ConA

Lectin-Jamboree

Id Subject Object Predicate Lexical cue
T1 968-974 lectin denotes lectin
T2 1637-1644 lectin denotes lectins

Lectin-Jamboree-small

Id Subject Object Predicate Lexical cue glycosmos_id
T1 992-996 Lectin denotes ConA GL_002303
T2 1417-1421 Lectin denotes ConA GL_002303

Lectin-Jamboree-Sentence

Id Subject Object Predicate Lexical cue
T1 0-57 Sentence denotes Molecular modelling of protein-carbohydrate interactions.
T2 58-123 Sentence denotes Docking of monosaccharides in the binding site of concanavalin A.
T3 124-233 Sentence denotes A general procedure is described for addressing the computer simulation of protein-carbohydrate interactions.
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.
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.
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.
T7 788-874 Sentence denotes Third, calculation of the relative stability of protein ligand complexes is performed.
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.
T9 1069-1183 Sentence denotes For each monosaccharide, different stable orientations and positions within the binding site can be distinguished.
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.
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).
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.

NCBITAXON

Id Subject Object Predicate Lexical cue db_id
T1 400-406 OrganismTaxon denotes Tripos 2126447

Anatomy-UBERON

Id Subject Object Predicate Lexical cue uberon_id
T1 605-611 Body_part denotes cavity http://purl.obolibrary.org/obo/UBERON_0002553