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The models pinpoint a number of unfavorable local interactions at the carboxyl terminus of the single \u03b1-helix and in the protease-binding loop region of CI2. By removing these interactions or replacing them with stabilizing ones, we have increased the rate of folding of the protein up to 40-fold (\u03c4 = 0.4 ms). This correspondence, and other examples of agreement between experiment and theory in general, \u03a6-values and molecular dynamics simulations, in particular, suggest that significant progress has been made toward describing complete folding pathways at atomic resolution by combining experiment and simulation.<\/jats:p>","DOI":"10.1073\/pnas.95.15.8473","type":"journal-article","created":{"date-parts":[[2002,7,26]],"date-time":"2002-07-26T10:42:40Z","timestamp":1027680160000},"page":"8473-8478","update-policy":"https:\/\/doi.org\/10.1073\/pnas.cm10313","source":"Crossref","is-referenced-by-count":102,"title":["Synergy between simulation and experiment in describing the energy landscape of protein folding"],"prefix":"10.1073","volume":"95","author":[{"given":"Andreas G.","family":"Ladurner","sequence":"first","affiliation":[{"name":"Cambridge University Chemical Laboratory and Cambridge Centre for Protein Engineering, Medical Research Council Centre, Hills Road, Cambridge CB2 2QH, United Kingdom; and Department of Medicinal Chemistry, University of Washington, Seattle WA 98195-7610"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Laura S.","family":"Itzhaki","sequence":"additional","affiliation":[{"name":"Cambridge University Chemical Laboratory and Cambridge Centre for Protein Engineering, Medical Research Council Centre, Hills Road, Cambridge CB2 2QH, United Kingdom; and Department of Medicinal Chemistry, University of Washington, Seattle WA 98195-7610"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Valerie","family":"Daggett","sequence":"additional","affiliation":[{"name":"Cambridge University Chemical Laboratory and Cambridge Centre for Protein Engineering, Medical Research Council Centre, Hills Road, Cambridge CB2 2QH, United Kingdom; and Department of Medicinal Chemistry, University of Washington, Seattle WA 98195-7610"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Alan R.","family":"Fersht","sequence":"additional","affiliation":[{"name":"Cambridge University Chemical Laboratory and Cambridge Centre for Protein Engineering, Medical Research Council Centre, Hills Road, Cambridge CB2 2QH, United Kingdom; and Department of Medicinal Chemistry, University of Washington, Seattle WA 98195-7610"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"341","published-online":{"date-parts":[[1998,7,21]]},"reference":[{"key":"e_1_3_3_1_2","doi-asserted-by":"publisher","DOI":"10.1038\/340122a0"},{"key":"e_1_3_3_2_2","doi-asserted-by":"publisher","DOI":"10.1038\/nsb1096-874"},{"key":"e_1_3_3_3_2","doi-asserted-by":"publisher","DOI":"10.1016\/S1359-0278(96)00011-9"},{"key":"e_1_3_3_4_2","doi-asserted-by":"publisher","DOI":"10.1016\/S1359-0278(96)00023-5"},{"key":"e_1_3_3_5_2","doi-asserted-by":"publisher","DOI":"10.1038\/nsb0497-305"},{"key":"e_1_3_3_6_2","doi-asserted-by":"publisher","DOI":"10.1006\/jmbi.1995.0616"},{"key":"e_1_3_3_7_2","doi-asserted-by":"publisher","DOI":"10.1038\/335694a0"},{"key":"e_1_3_3_8_2","doi-asserted-by":"publisher","DOI":"10.1038\/335700a0"},{"key":"e_1_3_3_9_2","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.92.20.9318"},{"key":"e_1_3_3_10_2","doi-asserted-by":"publisher","DOI":"10.1038\/nsb1095-865"},{"key":"e_1_3_3_11_2","doi-asserted-by":"crossref","unstructured":"Li A. & Daggett V. 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