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The speed of convergence of the new algorithm is comparable to that of existing algorithms for minimizing the energies of single polypeptide chains, and it is several times greater than the speed of convergence of previous algorithms for minimizing the energy of structures consisting of several polypeptide chains. The algorithm has been used to minimize the energy of three\u2010stranded (<jats:sc>L<\/jats:sc>\u2010Ala)<jats:sub>8<\/jats:sub> \u03b2\u2010sheets, three\u2010stranded (<jats:sc>L<\/jats:sc>\u2010Val)<jats:sub>6<\/jats:sub> \u03b2\u2010sheets, and five\u2010stranded (<jats:sc>L<\/jats:sc>\u2010Ile)<jats:sub>6<\/jats:sub> \u03b2\u2010sheets, starting from regular structures found previously; of the three\u2010stranded regular and truncated (Gly\u2010<jats:sc>L<\/jats:sc>\u2010Pro\u2010<jats:sc>L<\/jats:sc>\u2010Pro)<jats:sub>4<\/jats:sub> structures used in earlier work to model collagen; and of the stacked \u03b2\u2010sheet (<jats:sc>L<\/jats:sc>\u2010Ala\u2010GLy)<jats:sub>6<\/jats:sub> structures used to model silk. The antiparallel <jats:sc>L<\/jats:sc>\u2010Ala \u03b2\u2010sheet, and Gly\u2010Pro\u2010Pro triple helices, and the silk II structure remained nearly regular after energy minimization, but by contrast with results from earlier computations the other structures became significantly irregular. \u00a9 1994 by John Wiley &amp; Sons, Inc.<\/jats:p>","DOI":"10.1002\/jcc.540151210","type":"journal-article","created":{"date-parts":[[2005,1,2]],"date-time":"2005-01-02T01:00:45Z","timestamp":1104627645000},"page":"1403-1413","source":"Crossref","is-referenced-by-count":10,"title":["A rapid and efficient algorithm for packing polypeptide chains by energy minimization"],"prefix":"10.1002","volume":"15","author":[{"given":"Kenneth D.","family":"Gibson","sequence":"first","affiliation":[]},{"given":"Harold A.","family":"Scheraga","sequence":"additional","affiliation":[]}],"member":"311","published-online":{"date-parts":[[2004,9,7]]},"reference":[{"key":"e_1_2_1_2_2","doi-asserted-by":"publisher","DOI":"10.1002\/ange.19870990506"},{"key":"e_1_2_1_3_2","doi-asserted-by":"publisher","DOI":"10.1093\/protein\/6.1.59"},{"key":"e_1_2_1_4_2","doi-asserted-by":"publisher","DOI":"10.1093\/protein\/6.1.65"},{"key":"e_1_2_1_5_2","doi-asserted-by":"publisher","DOI":"10.1126\/science.2823387"},{"key":"e_1_2_1_6_2","doi-asserted-by":"publisher","DOI":"10.1002\/prot.340060203"},{"key":"e_1_2_1_7_2","doi-asserted-by":"publisher","DOI":"10.1002\/prot.340070106"},{"key":"e_1_2_1_8_2","doi-asserted-by":"publisher","DOI":"10.1002\/prot.340080305"},{"key":"e_1_2_1_9_2","doi-asserted-by":"publisher","DOI":"10.1093\/protein\/4.6.649"},{"key":"e_1_2_1_10_2","doi-asserted-by":"publisher","DOI":"10.1093\/protein\/4.4.427"},{"key":"e_1_2_1_11_2","doi-asserted-by":"publisher","DOI":"10.1002\/prot.340110207"},{"key":"e_1_2_1_12_2","doi-asserted-by":"publisher","DOI":"10.1093\/protein\/4.8.871"},{"key":"e_1_2_1_13_2","doi-asserted-by":"publisher","DOI":"10.1002\/prot.340130302"},{"key":"e_1_2_1_14_2","doi-asserted-by":"publisher","DOI":"10.1002\/prot.340140406"},{"key":"e_1_2_1_15_2","doi-asserted-by":"publisher","DOI":"10.1002\/pro.5560010911"},{"key":"e_1_2_1_16_2","doi-asserted-by":"crossref","first-page":"919","DOI":"10.1002\/pro.5560020605","volume":"2","author":"Kozack R. 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