SymProFold: Structural prediction of symmetrical biological assemblies.

Autor: Buhlheller C; Institute of Molecular Biosciences, University of Graz, Graz, Austria.; Medical University of Graz, Graz, Austria., Sagmeister T; Institute of Molecular Biosciences, University of Graz, Graz, Austria., Grininger C; Institute of Molecular Biosciences, University of Graz, Graz, Austria., Gubensäk N; Institute of Molecular Biosciences, University of Graz, Graz, Austria., Sleytr UB; Institute of Nanobiotechnology, University of Natural Resources and Life Sciences Vienna, Vienna, Austria., Usón I; Structural Biology Unit, Institute of Molecular Biology of Barcelona, Spanish National Research Council, Barcelona, Spain.; ICREA, Institució Catalana de Recerca i Estudis Avançats, Barcelona, Spain., Pavkov-Keller T; Institute of Molecular Biosciences, University of Graz, Graz, Austria. tea.pavkov@uni-graz.at.; Field of Excellence BioHealth, University of Graz, Graz, Austria. tea.pavkov@uni-graz.at.; BioTechMed-Graz, University of Graz, Graz, Austria. tea.pavkov@uni-graz.at.

Publikováno v: Nature communications [Nat Commun] 2024 Sep 18; Vol. 15 (1), pp. 8152. Date of Electronic Publication: 2024 Sep 18.

Structural investigation of Trypanosoma cruzi Akt-like kinase as drug target against Chagas disease.

Autor: Stadler KA; Institute of Chemistry/Organic and Bioorganic Chemistry, University of Graz, Graz, Austria., Ortiz-Joya LJ; Institute of Chemistry/Organic and Bioorganic Chemistry, University of Graz, Graz, Austria.; Programa de Estudio y Control de Enfermedades Tropicales (PECET), Facultad de Medicina, Universidad de Antioquia, Medellín, Colombia.; Department of Biochemistry, McGill University, Montreal, Canada., Singh Sahrawat A; Institute of Molecular Biosciences, University of Graz, Graz, Austria.; Innophore GmbH, Graz, Austria., Buhlheller C; Institute of Molecular Biosciences, University of Graz, Graz, Austria., Gruber K; Institute of Molecular Biosciences, University of Graz, Graz, Austria.; Innophore GmbH, Graz, Austria.; Field of Excellence BioHealth, University of Graz, Graz, Austria.; BioTechMed-Graz, Graz, Austria., Pavkov-Keller T; Institute of Molecular Biosciences, University of Graz, Graz, Austria.; Field of Excellence BioHealth, University of Graz, Graz, Austria.; BioTechMed-Graz, Graz, Austria., O'Hagan TB; Department of Biochemistry, McGill University, Montreal, Canada., Guarné A; Department of Biochemistry, McGill University, Montreal, Canada., Pulido S; Programa de Estudio y Control de Enfermedades Tropicales (PECET), Facultad de Medicina, Universidad de Antioquia, Medellín, Colombia.; LifeFactors ZF SAS, Rionegro, Colombia., Marín-Villa M; Programa de Estudio y Control de Enfermedades Tropicales (PECET), Facultad de Medicina, Universidad de Antioquia, Medellín, Colombia., Zangger K; Institute of Chemistry/Organic and Bioorganic Chemistry, University of Graz, Graz, Austria. klaus.zangger@uni-graz.at.; Field of Excellence BioHealth, University of Graz, Graz, Austria. klaus.zangger@uni-graz.at.; BioTechMed-Graz, Graz, Austria. klaus.zangger@uni-graz.at., Gubensäk N; Institute of Molecular Biosciences, University of Graz, Graz, Austria. nina.gubensaek@uni-graz.at.

Publikováno v: Scientific reports [Sci Rep] 2024 May 02; Vol. 14 (1), pp. 10039. Date of Electronic Publication: 2024 May 02.

Accurate prediction of protein structures and interactions using a 3-track network

Autor: Nick V. Grishin, Minkyung Baek, Udit Dalwadi, Gyu Rie Lee, Hahnbeom Park, Carson Adams, van Dijk Aa, Manoj K. Rathinaswamy, Theo Sagmeister, Qian Cong, Frank DiMaio, Randy J. Read, David Baker, Paul D. Adams, Sergey Ovchinnikov, Buhlheller C, Calvin K. Yip, Caleb R. Glassman, Ivan Anishchenko, Schaeffer Rd, Claudia Millán, Diederik J. Opperman, Tea Pavkov-Keller, Jose Henrique Pereira, Ana C. Ebrecht, Lisa N. Kinch, Jing Wang, John E. Burke, Kenan Christopher Garcia, Andria V. Rodrigues, Justas Dauparas, Andy DeGiovanni

DeepMind presented remarkably accurate protein structure predictions at the CASP14 conference. We explored network architectures incorporating related ideas and obtained the best performance with a 3-track network in which information at the 1D seque

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::0c004bba94029129763bc982a1dcf7f6
https://doi.org/10.1101/2021.06.14.448402

Accurate prediction of protein structures and interactions using a three-track neural network.

Autor: Baek M; Department of Biochemistry, University of Washington, Seattle, WA 98195, USA.; Institute for Protein Design, University of Washington, Seattle, WA 98195, USA., DiMaio F; Department of Biochemistry, University of Washington, Seattle, WA 98195, USA.; Institute for Protein Design, University of Washington, Seattle, WA 98195, USA., Anishchenko I; Department of Biochemistry, University of Washington, Seattle, WA 98195, USA.; Institute for Protein Design, University of Washington, Seattle, WA 98195, USA., Dauparas J; Department of Biochemistry, University of Washington, Seattle, WA 98195, USA.; Institute for Protein Design, University of Washington, Seattle, WA 98195, USA., Ovchinnikov S; Faculty of Arts and Sciences, Division of Science, Harvard University, Cambridge, MA 02138, USA.; John Harvard Distinguished Science Fellowship Program, Harvard University, Cambridge, MA 02138, USA., Lee GR; Department of Biochemistry, University of Washington, Seattle, WA 98195, USA.; Institute for Protein Design, University of Washington, Seattle, WA 98195, USA., Wang J; Department of Biochemistry, University of Washington, Seattle, WA 98195, USA.; Institute for Protein Design, University of Washington, Seattle, WA 98195, USA., Cong Q; Eugene McDermott Center for Human Growth and Development, University of Texas Southwestern Medical Center, Dallas, TX, USA.; Department of Biophysics, University of Texas Southwestern Medical Center, Dallas, TX, USA., Kinch LN; Howard Hughes Medical Institute, University of Texas Southwestern Medical Center, Dallas, TX, USA., Schaeffer RD; Department of Biophysics, University of Texas Southwestern Medical Center, Dallas, TX, USA., Millán C; Department of Haematology, Cambridge Institute for Medical Research, University of Cambridge, Cambridge, UK., Park H; Department of Biochemistry, University of Washington, Seattle, WA 98195, USA.; Institute for Protein Design, University of Washington, Seattle, WA 98195, USA., Adams C; Department of Biochemistry, University of Washington, Seattle, WA 98195, USA.; Institute for Protein Design, University of Washington, Seattle, WA 98195, USA., Glassman CR; Program in Immunology, Stanford University School of Medicine, Stanford, CA 94305, USA.; Department of Molecular and Cellular Physiology, Stanford University School of Medicine, Stanford, CA 94305, USA.; Department of Structural Biology, Stanford University School of Medicine, Stanford, CA 94305, USA., DeGiovanni A; Molecular Biophysics & Integrated Bioimaging Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USA., Pereira JH; Molecular Biophysics & Integrated Bioimaging Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USA., Rodrigues AV; Molecular Biophysics & Integrated Bioimaging Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USA., van Dijk AA; Department of Biochemistry, Focus Area Human Metabolomics, North-West University, 2531 Potchefstroom, South Africa., Ebrecht AC; Department of Biochemistry, Focus Area Human Metabolomics, North-West University, 2531 Potchefstroom, South Africa., Opperman DJ; Department of Biotechnology, University of the Free State, 205 Nelson Mandela Drive, Bloemfontein 9300, South Africa., Sagmeister T; Institute of Molecular Biosciences, University of Graz, Humboldtstrasse 50, 8010 Graz, Austria., Buhlheller C; Institute of Molecular Biosciences, University of Graz, Humboldtstrasse 50, 8010 Graz, Austria.; Medical University of Graz, Graz, Austria., Pavkov-Keller T; Institute of Molecular Biosciences, University of Graz, Humboldtstrasse 50, 8010 Graz, Austria.; BioTechMed-Graz, Graz, Austria., Rathinaswamy MK; Department of Biochemistry and Microbiology, University of Victoria, Victoria, BC, Canada., Dalwadi U; Life Sciences Institute, Department of Biochemistry and Molecular Biology, The University of British Columbia, Vancouver, BC, Canada., Yip CK; Life Sciences Institute, Department of Biochemistry and Molecular Biology, The University of British Columbia, Vancouver, BC, Canada., Burke JE; Department of Biochemistry and Microbiology, University of Victoria, Victoria, BC, Canada., Garcia KC; Program in Immunology, Stanford University School of Medicine, Stanford, CA 94305, USA.; Department of Molecular and Cellular Physiology, Stanford University School of Medicine, Stanford, CA 94305, USA.; Department of Structural Biology, Stanford University School of Medicine, Stanford, CA 94305, USA.; Howard Hughes Medical Institute, Stanford University School of Medicine, Stanford, CA 94305, USA., Grishin NV; Department of Biophysics, University of Texas Southwestern Medical Center, Dallas, TX, USA.; Howard Hughes Medical Institute, University of Texas Southwestern Medical Center, Dallas, TX, USA.; Department of Biochemistry, University of Texas Southwestern Medical Center, Dallas, TX, USA., Adams PD; Molecular Biophysics & Integrated Bioimaging Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USA.; Department of Bioengineering, University of California, Berkeley, Berkeley, CA 94720, USA., Read RJ; Department of Haematology, Cambridge Institute for Medical Research, University of Cambridge, Cambridge, UK., Baker D; Department of Biochemistry, University of Washington, Seattle, WA 98195, USA. dabaker@uw.edu.; Institute for Protein Design, University of Washington, Seattle, WA 98195, USA.; Howard Hughes Medical Institute, University of Washington, Seattle, WA 98195, USA.

Publikováno v: Science (New York, N.Y.) [Science] 2021 Aug 20; Vol. 373 (6557), pp. 871-876. Date of Electronic Publication: 2021 Jul 15.

HBCVTr: an end-to-end transformer with a deep neural network hybrid model for anti-HBV and HCV activity predictor from SMILES.

Autor: Meewan, Ittipat¹ (AUTHOR) ittipat.mee@mahidol.edu, Panmanee, Jiraporn² (AUTHOR), Petchyam, Nopphon¹ (AUTHOR), Lertvilai, Pichaya³ (AUTHOR)

Publikováno v: Scientific Reports. 4/22/2024, Vol. 14 Issue 1, p1-24. 24p.