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hieh peptide) 01" pej)loids wcre being buill.11 Sioce chere lire 20 poss Ible amll10 accd~ and ooly foor n Ucleolidc: ~. Ilached al each ammo acid a'C pans of the s Ubstt Ule nooting In the sol ution will be t OO far from the beads 10 cause any nuorcsccncc.
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Ctl, and from the coor· dinille", tile intrumolecular di'larx:es bet ......:en .... he acti\e site can be estimated, Fil1un: 2-18 contalll S the , igmfic Pnt componelll S of a hypotheucal acll"C Sile. the di SUUl CC' between amino acid rc.,iduc.~ lnu Sltalc into accoum the fact that each rc.'sitluc: is ahovc Of belo .... For an ilnlfl Clal ligund to "dock:' or fit into IIw:: ~i te. In sel CC1illg potential ligunds, c.1ndidatel might include D Pll'il ti"cly charged residue (protooated anune).
As dramall C as the llbo\'e e1i:lffip~ of stereoo;elec1J\ l I y may be. Keeping in mind the prott.k'n L~ of finding the "co..
uil:l h y J\t ilbe~trol C:l Iists in Iwo fi~ed stere Ql Orner. This can be tlone clther by dcgr.iding lbt protein or by obtaining the nucleotide cveral diffcrent chemical das~s and Subl. CUSSIOli of isostcrbm in the ne)( t st(1) TIle first Step is to colllert the trudlhonal 01" histoocal t .... inlo three-d Imensional structum;; whose inlramolecular tli Slarx:c~ an: known.
excn::tlon, and t OXICity (Am.l ET) propel1l CS has been cov· en::d ru; well.~' ~""illonl~compound VIRTUAL (IN SILl CD) SCREENING Virtual. ~nmg refen 10 lhe u:soe of computers 10 predict whcth~r D compound Will ! ity on the basis of its two-dimensional (20) or Ihree· dimensional (30) chemical ~rucl Un:: or 115 phy SICOChemical propertie~.
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