id sid tid token lemma pos 5x21td98j1p 1 1 with with ADP 5x21td98j1p 1 2 the the DET 5x21td98j1p 1 3 increasing increase VERB 5x21td98j1p 1 4 strength strength NOUN 5x21td98j1p 1 5 of of ADP 5x21td98j1p 1 6 computational computational ADJ 5x21td98j1p 1 7 resources resource NOUN 5x21td98j1p 1 8 , , PUNCT 5x21td98j1p 1 9 computational computational ADJ 5x21td98j1p 1 10 drug drug NOUN 5x21td98j1p 1 11 design design NOUN 5x21td98j1p 1 12 methodologies methodology NOUN 5x21td98j1p 1 13 have have AUX 5x21td98j1p 1 14 been be AUX 5x21td98j1p 1 15 used use VERB 5x21td98j1p 1 16 as as ADP 5x21td98j1p 1 17 tools tool NOUN 5x21td98j1p 1 18 in in ADP 5x21td98j1p 1 19 the the DET 5x21td98j1p 1 20 identification identification NOUN 5x21td98j1p 1 21 of of ADP 5x21td98j1p 1 22 lead lead ADJ 5x21td98j1p 1 23 molecules molecule NOUN 5x21td98j1p 1 24 for for ADP 5x21td98j1p 1 25 drug drug NOUN 5x21td98j1p 1 26 targets target NOUN 5x21td98j1p 1 27 . . PUNCT 5x21td98j1p 2 1 in in ADP 5x21td98j1p 2 2 my my PRON 5x21td98j1p 2 3 thesis thesis NOUN 5x21td98j1p 2 4 , , PUNCT 5x21td98j1p 2 5 i i PRON 5x21td98j1p 2 6 have have AUX 5x21td98j1p 2 7 utilized utilize VERB 5x21td98j1p 2 8 structure structure NOUN 5x21td98j1p 2 9 - - PUNCT 5x21td98j1p 2 10 based base VERB 5x21td98j1p 2 11 drug drug NOUN 5x21td98j1p 2 12 design design NOUN 5x21td98j1p 2 13 methodology methodology NOUN 5x21td98j1p 2 14 to to PART 5x21td98j1p 2 15 elucidate elucidate VERB 5x21td98j1p 2 16 information information NOUN 5x21td98j1p 2 17 targeting target VERB 5x21td98j1p 2 18 the the DET 5x21td98j1p 2 19 mammalian mammalian ADJ 5x21td98j1p 2 20 transcription transcription NOUN 5x21td98j1p 2 21 factor factor NOUN 5x21td98j1p 2 22 family family NOUN 5x21td98j1p 2 23 of of ADP 5x21td98j1p 2 24 notch notch NOUN 5x21td98j1p 2 25 . . PUNCT 5x21td98j1p 3 1 as as SCONJ 5x21td98j1p 3 2 a a DET 5x21td98j1p 3 3 crystal crystal NOUN 5x21td98j1p 3 4 structure structure NOUN 5x21td98j1p 3 5 solely solely ADV 5x21td98j1p 3 6 exists exist VERB 5x21td98j1p 3 7 for for ADP 5x21td98j1p 3 8 the the DET 5x21td98j1p 3 9 mammalian mammalian ADJ 5x21td98j1p 3 10 notch1 notch1 PROPN 5x21td98j1p 3 11 transactivation transactivation NOUN 5x21td98j1p 3 12 factor factor NOUN 5x21td98j1p 3 13 complex complex NOUN 5x21td98j1p 3 14 ( ( PUNCT 5x21td98j1p 3 15 pdb pdb NOUN 5x21td98j1p 3 16 : : PUNCT 5x21td98j1p 3 17 2f8x 2f8x NOUN 5x21td98j1p 3 18 , , PUNCT 5x21td98j1p 3 19 resolution resolution NOUN 5x21td98j1p 3 20 : : PUNCT 5x21td98j1p 3 21 3.25ìä 3.25ìä NUM 5x21td98j1p 3 22 ' ' PART 5x21td98j1p 3 23 _ _ X 5x21td98j1p 3 24 ) ) PUNCT 5x21td98j1p 3 25 , , PUNCT 5x21td98j1p 3 26 i i PRON 5x21td98j1p 3 27 initially initially ADV 5x21td98j1p 3 28 created create VERB 5x21td98j1p 3 29 homology homology NOUN 5x21td98j1p 3 30 models model NOUN 5x21td98j1p 3 31 for for ADP 5x21td98j1p 3 32 the the DET 5x21td98j1p 3 33 notch2 notch2 PROPN 5x21td98j1p 3 34 - - PUNCT 5x21td98j1p 3 35 notch4 notch4 NOUN 5x21td98j1p 3 36 transcription transcription NOUN 5x21td98j1p 3 37 factor factor NOUN 5x21td98j1p 3 38 complexes complex NOUN 5x21td98j1p 3 39 based base VERB 5x21td98j1p 3 40 on on ADP 5x21td98j1p 3 41 the the DET 5x21td98j1p 3 42 three three NUM 5x21td98j1p 3 43 - - PUNCT 5x21td98j1p 3 44 dimensional dimensional ADJ 5x21td98j1p 3 45 coordinates coordinate NOUN 5x21td98j1p 3 46 for for ADP 5x21td98j1p 3 47 each each DET 5x21td98j1p 3 48 atom atom NOUN 5x21td98j1p 3 49 of of ADP 5x21td98j1p 3 50 the the DET 5x21td98j1p 3 51 crystal crystal NOUN 5x21td98j1p 3 52 structure structure NOUN 5x21td98j1p 3 53 of of ADP 5x21td98j1p 3 54 notch1 notch1 PROPN 5x21td98j1p 3 55 . . PROPN 5x21td98j1p 3 56 of of ADP 5x21td98j1p 3 57 interest interest NOUN 5x21td98j1p 3 58 to to ADP 5x21td98j1p 3 59 our our PRON 5x21td98j1p 3 60 collaborators collaborator NOUN 5x21td98j1p 3 61 at at ADP 5x21td98j1p 3 62 the the DET 5x21td98j1p 3 63 dana dana PROPN 5x21td98j1p 3 64 - - PUNCT 5x21td98j1p 3 65 farber farber PROPN 5x21td98j1p 3 66 cancer cancer PROPN 5x21td98j1p 3 67 institute institute PROPN 5x21td98j1p 3 68 , , PUNCT 5x21td98j1p 3 69 a a DET 5x21td98j1p 3 70 mutant mutant NOUN 5x21td98j1p 3 71 of of ADP 5x21td98j1p 3 72 the the DET 5x21td98j1p 3 73 notch3 notch3 ADJ 5x21td98j1p 3 74 complex complex NOUN 5x21td98j1p 3 75 was be AUX 5x21td98j1p 3 76 tested test VERB 5x21td98j1p 3 77 to to PART 5x21td98j1p 3 78 address address VERB 5x21td98j1p 3 79 a a DET 5x21td98j1p 3 80 clinical clinical ADJ 5x21td98j1p 3 81 phenotype phenotype NOUN 5x21td98j1p 3 82 seen see VERB 5x21td98j1p 3 83 . . PUNCT 5x21td98j1p 4 1 also also ADV 5x21td98j1p 4 2 , , PUNCT 5x21td98j1p 4 3 weak weak ADJ 5x21td98j1p 4 4 protein protein NOUN 5x21td98j1p 4 5 - - PUNCT 5x21td98j1p 4 6 protein protein NOUN 5x21td98j1p 4 7 interactions interaction NOUN 5x21td98j1p 4 8 in in ADP 5x21td98j1p 4 9 the the DET 5x21td98j1p 4 10 notch1 notch1 PROPN 5x21td98j1p 4 11 interface interface NOUN 5x21td98j1p 4 12 were be AUX 5x21td98j1p 4 13 found find VERB 5x21td98j1p 4 14 to to PART 5x21td98j1p 4 15 allow allow VERB 5x21td98j1p 4 16 for for ADP 5x21td98j1p 4 17 the the DET 5x21td98j1p 4 18 dissociation dissociation NOUN 5x21td98j1p 4 19 of of ADP 5x21td98j1p 4 20 ank ank PROPN 5x21td98j1p 4 21 and and CCONJ 5x21td98j1p 4 22 csl csl PROPN 5x21td98j1p 4 23 once once ADV 5x21td98j1p 4 24 maml1 maml1 NOUN 5x21td98j1p 4 25 is be AUX 5x21td98j1p 4 26 removed remove VERB 5x21td98j1p 4 27 from from ADP 5x21td98j1p 4 28 the the DET 5x21td98j1p 4 29 complex complex NOUN 5x21td98j1p 4 30 . . PUNCT 5x21td98j1p 5 1 stapled staple VERB 5x21td98j1p 5 2 sahm sahm NOUN 5x21td98j1p 5 3 peptide peptide NOUN 5x21td98j1p 5 4 analogs analog NOUN 5x21td98j1p 5 5 were be AUX 5x21td98j1p 5 6 designed design VERB 5x21td98j1p 5 7 to to PART 5x21td98j1p 5 8 disrupt disrupt VERB 5x21td98j1p 5 9 the the DET 5x21td98j1p 5 10 protein protein NOUN 5x21td98j1p 5 11 - - PUNCT 5x21td98j1p 5 12 protein protein NOUN 5x21td98j1p 5 13 interactions interaction NOUN 5x21td98j1p 5 14 of of ADP 5x21td98j1p 5 15 the the DET 5x21td98j1p 5 16 notch1 notch1 PROPN 5x21td98j1p 5 17 - - PUNCT 5x21td98j1p 5 18 notch4 notch4 ADJ 5x21td98j1p 5 19 transactivation transactivation NOUN 5x21td98j1p 5 20 complexes complex NOUN 5x21td98j1p 5 21 , , PUNCT 5x21td98j1p 5 22 the the DET 5x21td98j1p 5 23 loss loss NOUN 5x21td98j1p 5 24 - - PUNCT 5x21td98j1p 5 25 of of ADP 5x21td98j1p 5 26 - - PUNCT 5x21td98j1p 5 27 function function NOUN 5x21td98j1p 5 28 or or CCONJ 5x21td98j1p 5 29 gain gain VERB 5x21td98j1p 5 30 - - PUNCT 5x21td98j1p 5 31 of of ADP 5x21td98j1p 5 32 - - PUNCT 5x21td98j1p 5 33 function function NOUN 5x21td98j1p 5 34 mutations mutation NOUN 5x21td98j1p 5 35 of of ADP 5x21td98j1p 5 36 which which PRON 5x21td98j1p 5 37 are be AUX 5x21td98j1p 5 38 related relate VERB 5x21td98j1p 5 39 to to ADP 5x21td98j1p 5 40 numerous numerous ADJ 5x21td98j1p 5 41 diseased diseased ADJ 5x21td98j1p 5 42 states state NOUN 5x21td98j1p 5 43 , , PUNCT 5x21td98j1p 5 44 including include VERB 5x21td98j1p 5 45 cancers cancer NOUN 5x21td98j1p 5 46 . . PUNCT 5x21td98j1p 6 1 stapled staple VERB 5x21td98j1p 6 2 sahm sahm NOUN 5x21td98j1p 6 3 mutants mutant NOUN 5x21td98j1p 6 4 disrupting disrupt VERB 5x21td98j1p 6 5 analogous analogous ADJ 5x21td98j1p 6 6 regions region NOUN 5x21td98j1p 6 7 of of ADP 5x21td98j1p 6 8 interface interface NOUN 5x21td98j1p 6 9 homologs homolog NOUN 5x21td98j1p 6 10 resulted result VERB 5x21td98j1p 6 11 in in ADP 5x21td98j1p 6 12 quick quick ADJ 5x21td98j1p 6 13 molecular molecular ADJ 5x21td98j1p 6 14 dynamics dynamic NOUN 5x21td98j1p 6 15 convergence convergence NOUN 5x21td98j1p 6 16 . . PUNCT 5x21td98j1p 7 1 stapled stapled ADJ 5x21td98j1p 7 2 sahm sahm NOUN 5x21td98j1p 7 3 mutants mutant NOUN 5x21td98j1p 7 4 were be AUX 5x21td98j1p 7 5 designed design VERB 5x21td98j1p 7 6 by by ADP 5x21td98j1p 7 7 natural natural ADJ 5x21td98j1p 7 8 amino amino NOUN 5x21td98j1p 7 9 acid acid NOUN 5x21td98j1p 7 10 point point NOUN 5x21td98j1p 7 11 mutations mutation NOUN 5x21td98j1p 7 12 to to PART 5x21td98j1p 7 13 allow allow VERB 5x21td98j1p 7 14 for for ADP 5x21td98j1p 7 15 higher high ADJ 5x21td98j1p 7 16 binding binding ADJ 5x21td98j1p 7 17 affinity affinity NOUN 5x21td98j1p 7 18 to to ADP 5x21td98j1p 7 19 non non ADJ 5x21td98j1p 7 20 - - ADJ 5x21td98j1p 7 21 analogous analogous ADJ 5x21td98j1p 7 22 ank ank NOUN 5x21td98j1p 7 23 / / SYM 5x21td98j1p 7 24 csl csl PROPN 5x21td98j1p 7 25 interfaces interface NOUN 5x21td98j1p 7 26 . . PUNCT 5x21td98j1p 8 1 novel novel ADJ 5x21td98j1p 8 2 sahm1 sahm1 PROPN 5x21td98j1p 8 3 peptide peptide NOUN 5x21td98j1p 8 4 antagonists antagonist NOUN 5x21td98j1p 8 5 were be AUX 5x21td98j1p 8 6 developed develop VERB 5x21td98j1p 8 7 through through ADP 5x21td98j1p 8 8 varying vary VERB 5x21td98j1p 8 9 the the DET 5x21td98j1p 8 10 location location NOUN 5x21td98j1p 8 11 of of ADP 5x21td98j1p 8 12 the the DET 5x21td98j1p 8 13 staple staple NOUN 5x21td98j1p 8 14 and and CCONJ 5x21td98j1p 8 15 docking docking NOUN 5x21td98j1p 8 16 to to ADP 5x21td98j1p 8 17 the the DET 5x21td98j1p 8 18 notch1 notch1 PROPN 5x21td98j1p 8 19 interface interface NOUN 5x21td98j1p 8 20 ; ; PUNCT 5x21td98j1p 8 21 one one NUM 5x21td98j1p 8 22 stapled staple VERB 5x21td98j1p 8 23 peptide peptide NOUN 5x21td98j1p 8 24 shows show VERB 5x21td98j1p 8 25 quick quick ADJ 5x21td98j1p 8 26 md md PROPN 5x21td98j1p 8 27 convergence convergence NOUN 5x21td98j1p 8 28 , , PUNCT 5x21td98j1p 8 29 analogous analogous ADJ 5x21td98j1p 8 30 to to ADP 5x21td98j1p 8 31 that that PRON 5x21td98j1p 8 32 of of ADP 5x21td98j1p 8 33 sahm1 sahm1 PROPN 5x21td98j1p 8 34 . . PUNCT 5x21td98j1p 9 1 the the DET 5x21td98j1p 9 2 notch2 notch2 PROPN 5x21td98j1p 9 3 - - PUNCT 5x21td98j1p 9 4 notch4 notch4 ADJ 5x21td98j1p 9 5 ank ank NOUN 5x21td98j1p 9 6 / / SYM 5x21td98j1p 9 7 csl csl PROPN 5x21td98j1p 9 8 interfaces interface NOUN 5x21td98j1p 9 9 were be AUX 5x21td98j1p 9 10 also also ADV 5x21td98j1p 9 11 targeted target VERB 5x21td98j1p 9 12 at at ADP 5x21td98j1p 9 13 two two NUM 5x21td98j1p 9 14 hot hot ADJ 5x21td98j1p 9 15 - - PUNCT 5x21td98j1p 9 16 spot spot NOUN 5x21td98j1p 9 17 regions region NOUN 5x21td98j1p 9 18 by by ADP 5x21td98j1p 9 19 small small ADJ 5x21td98j1p 9 20 molecule molecule NOUN 5x21td98j1p 9 21 ligands ligand NOUN 5x21td98j1p 9 22 , , PUNCT 5x21td98j1p 9 23 which which PRON 5x21td98j1p 9 24 will will AUX 5x21td98j1p 9 25 be be AUX 5x21td98j1p 9 26 subsequently subsequently ADV 5x21td98j1p 9 27 tested test VERB 5x21td98j1p 9 28 computationally computationally ADV 5x21td98j1p 9 29 by by ADP 5x21td98j1p 9 30 mm mm NOUN 5x21td98j1p 9 31 / / SYM 5x21td98j1p 9 32 pbsa pbsa NOUN 5x21td98j1p 9 33 rescoring rescore VERB 5x21td98j1p 9 34 and and CCONJ 5x21td98j1p 9 35 validated validate VERB 5x21td98j1p 9 36 by by ADP 5x21td98j1p 9 37 experimental experimental ADJ 5x21td98j1p 9 38 measures measure NOUN 5x21td98j1p 9 39 by by ADP 5x21td98j1p 9 40 our our PRON 5x21td98j1p 9 41 collaborators collaborator NOUN 5x21td98j1p 9 42 . . PUNCT 5x21td98j1p 10 1 the the DET 5x21td98j1p 10 2 quick quick ADJ 5x21td98j1p 10 3 and and CCONJ 5x21td98j1p 10 4 cost cost NOUN 5x21td98j1p 10 5 - - PUNCT 5x21td98j1p 10 6 efficient efficient ADJ 5x21td98j1p 10 7 computational computational ADJ 5x21td98j1p 10 8 techniques technique NOUN 5x21td98j1p 10 9 that that PRON 5x21td98j1p 10 10 help help VERB 5x21td98j1p 10 11 elucidate elucidate VERB 5x21td98j1p 10 12 the the DET 5x21td98j1p 10 13 mechanisms mechanism NOUN 5x21td98j1p 10 14 associated associate VERB 5x21td98j1p 10 15 with with ADP 5x21td98j1p 10 16 binding bind VERB 5x21td98j1p 10 17 and and CCONJ 5x21td98j1p 10 18 have have AUX 5x21td98j1p 10 19 been be AUX 5x21td98j1p 10 20 applied apply VERB 5x21td98j1p 10 21 include include VERB 5x21td98j1p 10 22 : : PUNCT 5x21td98j1p 10 23 homology homology NOUN 5x21td98j1p 10 24 modeling modeling NOUN 5x21td98j1p 10 25 , , PUNCT 5x21td98j1p 10 26 equilibration equilibration NOUN 5x21td98j1p 10 27 and and CCONJ 5x21td98j1p 10 28 molecular molecular ADJ 5x21td98j1p 10 29 dynamics dynamic NOUN 5x21td98j1p 10 30 simulations simulation NOUN 5x21td98j1p 10 31 , , PUNCT 5x21td98j1p 10 32 and and CCONJ 5x21td98j1p 10 33 mm mm NOUN 5x21td98j1p 10 34 / / SYM 5x21td98j1p 10 35 pbsa pbsa NOUN 5x21td98j1p 10 36 binding bind VERB 5x21td98j1p 10 37 free free ADJ 5x21td98j1p 10 38 energy energy NOUN 5x21td98j1p 10 39 calculations calculation NOUN 5x21td98j1p 10 40 and and CCONJ 5x21td98j1p 10 41 rescoring rescoring NOUN 5x21td98j1p 10 42 . . PUNCT