{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,5,6]],"date-time":"2026-05-06T09:06:42Z","timestamp":1778058402764,"version":"3.51.4"},"reference-count":43,"publisher":"Oxford University Press (OUP)","issue":"6","license":[{"start":{"date-parts":[[2022,9,17]],"date-time":"2022-09-17T00:00:00Z","timestamp":1663372800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/academic.oup.com\/journals\/pages\/open_access\/funder_policies\/chorus\/standard_publication_model"}],"funder":[{"DOI":"10.13039\/501100012166","name":"National Key Research and Development Program of China","doi-asserted-by":"publisher","award":["2021YFC2100100"],"award-info":[{"award-number":["2021YFC2100100"]}],"id":[{"id":"10.13039\/501100012166","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["21901157"],"award-info":[{"award-number":["21901157"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]},{"name":"Shanghai Science and Technology Project","award":["21JC1403400"],"award-info":[{"award-number":["21JC1403400"]}]},{"name":"SJTU Global Strategic Partnership Fund","award":["2020 SJTU-HUJI"],"award-info":[{"award-number":["2020 SJTU-HUJI"]}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2022,11,19]]},"abstract":"<jats:title>Abstract<\/jats:title>\n               <jats:p>Accurate and effective prediction of mutation-induced protein energy change remains a great challenge and of great interest in computational biology. However, high resource consumption and insufficient structural information of proteins severely limit the experimental techniques and structure-based prediction methods. Here, we design a structure-independent protocol to accurately and effectively predict the mutation-induced protein folding free energy change with only sequence, physicochemical and evolutionary features. The proposed clustered tree regression protocol is capable of effectively exploiting the inherent data patterns by integrating unsupervised feature clustering by K-means and supervised tree regression using XGBoost, and thus enabling fast and accurate protein predictions with different mutations, with an average Pearson correlation coefficient of 0.83 and an average root-mean-square error of 0.94kcal\/mol. The proposed sequence-based method not only eliminates the dependence on protein structures, but also has potential applications in protein predictions with rare structural information.<\/jats:p>","DOI":"10.1093\/bib\/bbac374","type":"journal-article","created":{"date-parts":[[2022,9,20]],"date-time":"2022-09-20T09:09:41Z","timestamp":1663664981000},"source":"Crossref","is-referenced-by-count":3,"title":["Clustered tree regression to learn protein energy change with mutated amino acid"],"prefix":"10.1093","volume":"23","author":[{"given":"Hongwei","family":"Tu","sequence":"first","affiliation":[{"name":"Key Laboratory of Thin Film and Microfabrication of Ministry of Education, Department of Micro\/Nano Electronics, Shanghai Jiao Tong University , Shanghai, 200240, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Yanqiang","family":"Han","sequence":"additional","affiliation":[{"name":"Key Laboratory of Thin Film and Microfabrication of Ministry of Education, Department of Micro\/Nano Electronics, Shanghai Jiao Tong University , Shanghai, 200240, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Zhilong","family":"Wang","sequence":"additional","affiliation":[{"name":"Key Laboratory of Thin Film and Microfabrication of Ministry of Education, Department of Micro\/Nano Electronics, Shanghai Jiao Tong University , Shanghai, 200240, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jinjin","family":"Li","sequence":"additional","affiliation":[{"name":"Key Laboratory of Thin Film and Microfabrication of Ministry of Education, Department of Micro\/Nano Electronics, Shanghai Jiao Tong University , Shanghai, 200240, China"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"286","published-online":{"date-parts":[[2022,9,17]]},"reference":[{"key":"2022112111111476200_ref1","doi-asserted-by":"crossref","first-page":"333","DOI":"10.1146\/annurev.biochem.75.101304.123901","article-title":"Protein 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