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With the help of AI-supported design methods such as RosettaSurface, ProteinMPNN, and AlphaFold, novel designer proteins are to be developed that bind specifically to wood surfaces and serve as a sustainable, bio-based alternative to synthetic adhesives.<\/p>\n
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\nToward a protein-driven future for sustainable materials utilizing advanced AI-based methods<\/p>\n<\/blockquote>\n
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Photo above: Martin Sch\u00fctze<\/p>\n
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Background<\/h2>\n
Proteins are highly versatile biopolymers that perform a wide array of functions in biological systems, including catalysis, molecular recognition, structural support, and signaling. Harnessing the power of protein engineering allows for the creation of “Designer-Proteins” with custom functions that do not exist in nature. Recent advances in computational tools such as Rosetta developed by David Baker\u2019s team [Rohl et al., 2004, Methods Enzymol.; Das & Baker, 2008, Annu. Rev. Biochem.] and AlphaFold [Jumper et al., 2021, Nature] have enabled the rational design and structural prediction of proteins with unprecedented precision.<\/p>\n
<\/p>\n
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Objective<\/h2>\n
This project leverages the latest advancements in computational protein design and structural biology to develop novel Designer-Proteins for wood. The designed proteins should pave the way for a platform for bio-based binders as an alternative to common synthetic glues by investigating the role of surface-binding proteins in the assembly of biomaterials for biotechnological applications. The Designer-Proteins can be used to functionalize surfaces in biomaterials e.g., wood chips, improving properties like adhesion strength or wetting. The combination of RosettaSurface and ProteinMPNN [Dauparas, et al., 2022, Science] for rational design and AlphaFold3 for structural validation represents a cutting-edge approach to designing proteins for biotechnological and industrial applications. The project is developing a computational approach for a surface-centric computational protein design by utilizing these computational tools for protein binders. The specific objectives are: Design of artificial surface-binding proteins using RosettaSurface (I), Structural ensemble prediction and validation using AlphaFold (II), Mechanistic understanding of surface binding using atomistic and coarse-grained molecular dynamics (MD) simulations (III).<\/p>\n
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Literature<\/strong>:<\/p>\n
Das, R., & Baker, D. (2008). Macromolecular modeling with rosetta. Annu. <\/em>Rev. Biochem<\/em>., 77(1), 363-382.<\/p>\n
Dauparas, J., Anishchenko, I., Bennett, N., Bai, H., Ragotte, R. J., Milles, L. F., … & Baker, D. (2022). Robust deep learning\u2013based protein sequence design using ProteinMPNN. Science<\/em>, 378(6615), 49-56.<\/p>\n
Jumper, J., Evans, R., Pritzel, A., et al.: Highly accurate protein structure prediction with AlphaFold. Nature<\/em><\/p>\n
Rohl, C.A., Strauss, C.E., Misura, K.M., Baker, D.: Protein structure prediction using Rosetta. Methods Enzymol<\/em>. 383(Pt A), 66\u201393 (2004).<\/p>\n
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Cooperation<\/h2>\n
Leibniz Institute of Plant Biochemistry (IPB), Halle<\/p>\n
\n<\/p>\n
<\/p>\n
[\/et_pb_text][\/et_pb_column][\/et_pb_row][\/et_pb_section][et_pb_section fb_built=”1″ custom_padding_last_edited=”on|desktop” disabled_on=”on|on|on” admin_label=”Publikationen section BG” module_id=”publikationen” module_class=”relaunch ” _builder_version=”4.27.3″ _module_preset=”default” background_color=”#6E9ED4″ background_enable_image=”off” background_size=”custom” background_image_width=”55%” background_position=”top_right” transform_scale_tablet=”” transform_scale_phone=”” transform_scale_last_edited=”on|tablet” transform_translate_tablet=”” transform_translate_phone=”” transform_translate_last_edited=”on|tablet” transform_translate_linked_tablet=”off” transform_rotate_tablet=”” transform_rotate_phone=”” transform_rotate_last_edited=”on|tablet” transform_skew_tablet=”” transform_skew_phone=”” transform_skew_last_edited=”on|tablet” transform_origin_tablet=”” transform_origin_phone=”” transform_origin_last_edited=”on|tablet” transform_styles_last_edited=”on|tablet” custom_margin=”0px||||false|false” custom_margin_tablet=”||||false|false” custom_margin_phone=”||-1rem||false|false” custom_margin_last_edited=”on|tablet” custom_padding=”1rem||3rem||false|false” custom_padding_tablet=”1rem||3rem||false|false” custom_padding_phone=”1rem||3rem||false|false” background_last_edited=”on|phone” background_enable_color_tablet=”off” transform_styles_tablet=”” transform_styles_phone=”” disabled=”on” global_colors_info=”{}”][et_pb_row use_custom_gutter=”on” gutter_width=”2″ make_equal=”on” custom_padding_last_edited=”on|desktop” admin_label=”Zeile H2″ _builder_version=”4.27.3″ _module_preset=”default” width=”96%” width_tablet=”90%” width_phone=”100%” width_last_edited=”on|desktop” max_width=”1440px” module_alignment=”center” custom_margin=”||3rem||false|false” custom_margin_tablet=”||0rem||false|false” custom_margin_phone=”||0rem||false|false” custom_margin_last_edited=”on|tablet” custom_padding=”||||false|false” custom_padding_tablet=”||||false|false” custom_padding_phone=”||||false|false” global_colors_info=”{}”][et_pb_column type=”4_4″ _builder_version=”4.27.3″ _module_preset=”default” background_enable_color=”off” custom_padding=”||||false|false” custom_padding_tablet=”3rem|2rem|0px|2rem|false|false” custom_padding_phone=”0rem|2rem|2rem|2rem|false|false” custom_padding_last_edited=”on|tablet” global_colors_info=”{}” custom_css_main_element_last_edited=”on|tablet”][et_pb_text admin_label=”H2″ module_class=”headline-white-bg” _builder_version=”4.27.3″ _module_preset=”default” background_enable_color=”off” transform_translate_linked=”off” custom_margin=”||0px||false|false” custom_margin_tablet=”||0px||false|false” custom_margin_phone=”||0px||false|false” custom_margin_last_edited=”on|desktop” global_colors_info=”{}”]<\/p>\n
Publikationen<\/h2>\n
[\/et_pb_text][\/et_pb_column][\/et_pb_row][et_pb_row column_structure=”1_2,1_2″ use_custom_gutter=”on” gutter_width=”2″ make_equal=”on” custom_padding_last_edited=”on|desktop” admin_label=”Zeile Introtext” _builder_version=”4.27.5″ _module_preset=”default” width=”96%” width_tablet=”90%” width_phone=”90%” width_last_edited=”on|desktop” max_width=”1440px” module_alignment=”center” custom_margin=”||8vw||false|false” custom_margin_tablet=”||5vw||false|false” custom_margin_phone=”||0vw||false|false” custom_margin_last_edited=”on|desktop” custom_padding=”||||false|false” custom_padding_tablet=”||||false|false” custom_padding_phone=”||||false|false” global_colors_info=”{}”][et_pb_column type=”1_2″ admin_label=”Spalte” _builder_version=”4.27.3″ _module_preset=”default” background_enable_color=”off” custom_padding=”|3rem||3rem|false|false” custom_padding_tablet=”3rem|2rem|2rem|2rem|false|false” custom_padding_phone=”0rem|0rem||0rem|false|false” custom_padding_last_edited=”on|tablet” global_colors_info=”{}” custom_css_main_element_last_edited=”on|tablet”][et_pb_text admin_label=”Introtext” module_class=”intro-text” _builder_version=”4.27.3″ _module_preset=”default” text_font=”|600|||||||” width_tablet=”50%” width_phone=”100%” width_last_edited=”on|tablet” custom_margin=”||3rem||false|false” custom_margin_tablet=”||3rem||false|false” custom_margin_phone=”||||false|false” custom_margin_last_edited=”on|phone” global_colors_info=”{}”]<\/p>\n
In K\u00fcrze finden Sie hier eine Auflistung der Ver\u00f6ffentlichungen unserer Forschungsteams sowie eigene Publikationen des Just Transition Center.<\/p>\n
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\n16448592<\/span>\n\n100<\/span>\njuristische-zitierweise<\/span>\ndefault<\/span>\nasc<\/span>\n<\/span>\n<\/span>\n<\/span>\n<\/span>\ntoplevel<\/span><\/span>\n<\/span>1<\/span>\n\n\n