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protein-protein docking
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Protein docking
1.
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[+)*7'2)/'5<')R)5,)G,+' •! 4+;69+';67R+*<)7/'5/2' /2+'/+;275].+<' •! [+)*7'2)/'5<'?6<<5G,+')7=' 2)/'5<'76/'?6<<5G,+' F6'&%-69+ •! ^?=)/+='9)/+*5),' •! M.5=+,57+<0'*.,+<'68'/2.9G0' </*)/+C5+<0'G+</'?*);:;+<' •! (+/)5,+=0'8.,,X;6,6*'2)7=6./<' •! -)7=<X67'+Z+*;5<+<H';*6<<X ?,)_6*9'`'6?+7X<6.*;+' <6a)*+' •! J?+;5),');;+<<'/6'@ABA(' *+<6.*;+<' 5-"D*6#4+G"+A";6*+F"-+A2+5-"&60)H+ IJ'&K+ !! K5<.),5L):67' !! J.G<:/.:67' !! J/*.;/.*+'),5C79+7/' !! -696,6CD'96=+,57C' !! S6,+;.,)*'9+;2)75;<' !! J+;67=)*D'</*.;/.*+'?*+=<' !! [66?'96=+,57C' !! I6,=57C' !! (+<5C7' !! (6;O57C' !! S6,+;.,)*'=D7)95;<' IJ2K+ !! I.7;:67')7=',6;),5L):67' !! S+;2)75<9'=+/)5,<')7=' 9./):67),'b26/<?6/<c' !! de+;/<'68'9./):67' !! S6,+;.,)*'96:67<' !! S5<<57C'=+/)5,<'6*'b=5F;.,/c' </*.;/.*+<' !! 457=57C'?)*/7+*<'f,5C)7=<')7=' 9);*696,+;.,+<g' !! Y+,)/+='</*.;/.*+<' L)9M6-4+!"#$%&'(")'*+:6.J)0N%69+ C%&*0)6+ •!Y+R5+'`')??,5;):67H')7:G6=D'96=+,57C' •!S+/26=<')7='?*6/6;6,<' •!Y5C5='R<3'h+Z5G,+' •!M,6G),'R<3'?+*/.*G):67' •!dR),.):67';*5/+*5)')7='R),5=):67' •!-)7=<'67H')<<+9G,57C'?*6/+57';69?,+Z+<' O6B06M+ /0"*"12+ !"#$%&'(")'*+ S./):67<' J.G<:/.:67' A7<+*:67<'`'(+,+:67<' >69?)*):R+'S6=+,57C')7=" 6*'[66?'S6=+,57C' J/*.;/.*+'5/2'2696,6CD' >69?)*):R+'S6=+,57C' J/*.;/.*+'5/2'76'2696,6CD' J+;67=)*D'`'i+*:)*D' J/*.;/.*+'1*+=5;:67' Y+j7+'5/2'96,+;.,)*'9+;2)75;<'957595L):670' 96,+;.,)*'=D7)95;<'<59.,):670',66?'96=+,57C0')7="6*' Y6<+k)'Y+,)Z'
2.
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3.
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>69?,+Z+<' !! A7=.;+='j/'f=5F;.,/g' [5C)7=' f<9),,+*g' Y+;+?/6*' f,)*C+*g' (6;O+='1)5*' Z)+16)6-'*4' q!1*6/+57';6786*9):67<'fG);OG67+g'=6'76/';2)7C+'.?67' )<<6;5):67' :J6-6W"-64' q!Y5C5='G);OG67+'=6;O57C'5<'*+)<67)G,+' q!J26*/0'h+Z5G,+'?+?:=+<'fr%&'*+<5=.+<g'9)D'76/'=6;O');;.*)/+,D' q!J26*/'?+?:=+<',);O'/+*:)*D'57/+*);:67<'25;2'</)G5,5L+'8.,,X <5L+'=69)57<'f$QX#Q&'*+<5=.+<g' P"M6B6-4' q![66?<'96R+0')<<.9+'7+'</*.;/.*+0')7='9)D';2)7C+')k);2+=' <+;67=)*D'</*.;/.*+0'+3C3'257C+<0'+/;3' /'90.+5-0).0$*69+ q! B/',+)</'%&%'()*'/2+'?*6/+57<'57/+*);/' q! A7C+7.5/D'1)/2)D<'B7),D<5<' f357C+7.5/D3;69g' q! 16/+7:),'A7/+*);:67<'68'1*6/+57<' f3G9935;7+/3.O"r?5?"g' q! ^<+'O767'</*.;/.*+<' q! [66?<'9.</'G+';67j=+7/,D'?*+=5;/+=' O6N%0-6#6)&9+[+!'B6'&9+ !J'-'.&6-09(.+"-+6$6-0#6)&'*+]8)"M)9^+ q!B7:G6=5+<' q!S./)C+7+<5<'f9)O+'<.*+'5/'5<'<?+;5j;g' q!>69?+::R+'5725G5/6*<' q!12D,6C+7+:;<'f<+].+7;+';67<+*R):67g' q!@SY';2+95;),'<25a<' 76901)'&6' q!A7/+*);:7C'*+<5=.+<' q!@67X57/+*);:7C'*+<5=.+<' q!(5</)7;+<'f9.,:X=69)57'?*6/+57<g' 7".80)1+!")9&-'0)&9+ :2$6+ ,0;6.J'0)9+ /'.8D")6+ Z);%.6;+_&K+ ,$66;+ Y5C5=' bI,+Z5G,+c' i*.+' I,+Z5G,+' SPEED" LIMIT" 75' SPEED" LIMIT" 45' SPEED" LIMIT" 25' 7".80)1+:2$69+
4.
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5.
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Cluster Solution RMS Etotal x y z alpha beta gamma # # ----------------------------------------------------------- # 1 1 -1.00 -674.37 -1.054082 1.148905 -1.898842 4.225601 0.043603 2.035036 2 7 -1.00 -466.95 6.391742 -3.586371 6.464341 0.549851 0.173942 5.910572 3 12 -1.00 -390.56 36.389814 6.091097 43.753908 0.636880 1.116722 6.004282 4 13 -1.00 -389.02 34.023469 32.042856 -29.317330 3.824875 1.208432 3.110588 5 14 -1.00 -376.53 -8.994166 38.182755 6.383416 1.627912 1.521707 4.021291 6 16 -1.00 -371.61 23.961853 50.763136 51.367499 2.400328 1.493673 5.367746 7 17 -1.00 -352.83 31.956149 78.559629 31.093809 4.338355 0.728764 5.951349 8 18 -1.00 -351.90 8.191179 55.260186 40.358167 1.387239 2.003236 4.835060 9 19 -1.00 -350.65 5.169851 60.765218 33.940304 1.159086 2.062416 4.636955 10 23 -1.00 -341.52 85.747750 33.517480 5.421428 3.042736 0.209307 5.316663 11 24 -1.00 -339.53 -6.187056 77.562998 28.781158 2.886683 2.471105 5.766467 12 25 -1.00 -336.58 10.013527 17.717552 -21.724697 2.624682 1.381384 3.523845 13 26 -1.00 -336.26 -23.958745 97.892772 -1.275502 2.929812 0.165471 1.912122 14 27 -1.00 -335.57 5.814371 55.121968 39.394501 0.906540 1.574298 4.695127 15 28 -1.00 -334.27 1.203193 -0.555192 7.126946 1.648961 0.231022 4.657084 16 29 -1.00 -332.82 16.788708 -4.344963 -15.307556 4.889239 0.341612 1.777178 17 30 -1.00 -332.77 -9.008413 31.805911 4.717495 1.685015 1.733456 3.946018 Pfg+ C%&$%&+09+57/+_*69' %4YJ' 4)*7)<+'f+Z?+*59+7/),g' 4)*</)*'f+Z?+*59+7/),g' 4)*</)*'f?*+=5;/+=g' Pfg+ 2k?H""G565786N=3;<3/).3);35,"1)/;2(6;O"' F6'&%-69' q!1)/;2(6;O' q!I)</' q!Y5C5=' q!M,6G),' q!>67</*)57/<' q!>,.</+*+=' q!I5*+(6;O' q!bI,+Z5G,+c' q!1+*/.*G):67' q!M*)?25;),' q!JD99(6;O' 5'&.J7".8cF0-67".8c,2##7".8+ 5'&.J7".8cF0-67".8c,2##7".8+
6.
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7.
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