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However, despite the interest of loop regions in protein engineering, the available methods of loop-based rational protein design are scarce. One particular difficulty related to loop engineering is the unique dynamism that enables them to exert allosteric control over the catalytic function of enzymes. Thus, when engaging in a transplantation effort, such dynamics in the context of protein structure need consideration. A second practical challenge is identifying successful excision points for the transplantation or grafting. Here, we present LoopGrafter (https:\/\/loschmidt.chemi.muni.cz\/loopgrafter\/), a web server that specifically guides in the loop grafting process between structurally related proteins. The server provides a step-by-step interactive procedure in which the user can successively identify loops in the two input proteins, calculate their geometries, assess their similarities and dynamics, and select a number of loops to be transplanted. All possible different chimeric proteins derived from any existing recombination point are calculated, and 3D models for each of them are constructed and energetically evaluated. The obtained results can be interactively visualized in a user-friendly graphical interface and downloaded for detailed structural analyses.<\/jats:p>","DOI":"10.1093\/nar\/gkac249","type":"journal-article","created":{"date-parts":[[2022,4,14]],"date-time":"2022-04-14T11:18:52Z","timestamp":1649935132000},"page":"W465-W473","source":"Crossref","is-referenced-by-count":23,"title":["LoopGrafter: a web tool for transplanting dynamical loops for protein engineering"],"prefix":"10.1093","volume":"50","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-6279-2483","authenticated-orcid":false,"given":"Joan","family":"Planas-Iglesias","sequence":"first","affiliation":[{"name":"Loschmidt Laboratories, Department of Experimental Biology and RECETOX, Faculty of Science, Masaryk University , 625 00 Brno , Czech Republic"},{"name":"International Clinical Research Center, St Anne\u2019s University Hospital Brno , 656 916 Brno , Czech Republic"}]},{"given":"Filip","family":"Opaleny","sequence":"additional","affiliation":[{"name":"Department of Visual Computing, Faculty of Informatics, Masaryk University , 602 00 Brno , Czech Republic"}]},{"given":"Pavol","family":"Ulbrich","sequence":"additional","affiliation":[{"name":"Department of Visual Computing, Faculty of Informatics, Masaryk University , 602 00 Brno , Czech Republic"}]},{"given":"Jan","family":"Stourac","sequence":"additional","affiliation":[{"name":"Loschmidt Laboratories, Department of Experimental Biology and RECETOX, Faculty of Science, Masaryk University , 625 00 Brno , Czech Republic"},{"name":"International Clinical Research Center, St Anne\u2019s University Hospital Brno , 656 916 Brno , Czech Republic"}]},{"given":"Zainab","family":"Sanusi","sequence":"additional","affiliation":[{"name":"Loschmidt Laboratories, Department of Experimental Biology and RECETOX, Faculty of Science, Masaryk University , 625 00 Brno , Czech Republic"}]},{"given":"Gaspar\u00a0P","family":"Pinto","sequence":"additional","affiliation":[{"name":"Loschmidt Laboratories, Department of Experimental Biology and RECETOX, Faculty of Science, Masaryk University , 625 00 Brno , Czech Republic"},{"name":"International Clinical Research Center, St Anne\u2019s University Hospital Brno , 656 916 Brno , Czech Republic"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0883-9866","authenticated-orcid":false,"given":"Andrea","family":"Schenkmayerova","sequence":"additional","affiliation":[{"name":"Loschmidt Laboratories, Department of Experimental Biology and RECETOX, Faculty of Science, Masaryk University , 625 00 Brno , Czech Republic"},{"name":"International Clinical Research Center, St Anne\u2019s University Hospital Brno , 656 916 Brno , Czech Republic"}]},{"given":"Jan","family":"Byska","sequence":"additional","affiliation":[{"name":"Department of Visual Computing, Faculty of Informatics, Masaryk University , 602 00 Brno , Czech Republic"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-7848-8216","authenticated-orcid":false,"given":"Jiri","family":"Damborsky","sequence":"additional","affiliation":[{"name":"Loschmidt Laboratories, Department of Experimental Biology and RECETOX, Faculty of Science, Masaryk University , 625 00 Brno , Czech Republic"},{"name":"International Clinical Research Center, St Anne\u2019s University Hospital Brno , 656 916 Brno , Czech Republic"}]},{"given":"Barbora","family":"Kozlikova","sequence":"additional","affiliation":[{"name":"Department of Visual Computing, Faculty of Informatics, Masaryk University , 602 00 Brno , Czech Republic"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6803-0340","authenticated-orcid":false,"given":"David","family":"Bednar","sequence":"additional","affiliation":[{"name":"Loschmidt Laboratories, Department of Experimental Biology and RECETOX, Faculty of Science, Masaryk University , 625 00 Brno , Czech Republic"},{"name":"International Clinical Research Center, St Anne\u2019s University Hospital Brno , 656 916 Brno , Czech Republic"}]}],"member":"286","published-online":{"date-parts":[[2022,4,19]]},"reference":[{"key":"2022070423590796500_B1","doi-asserted-by":"crossref","first-page":"14420","DOI":"10.1002\/anie.201907729","article-title":"Innovation by evolution: bringing new chemistry to life (Nobel lecture)","volume":"58","author":"Arnold","year":"2019","journal-title":"Angew. 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