The BioPAUÁ project: A portal for molecular dynamics using Grid environment

Autor: Wilter, A., Carla Osthoff, Oliveira, C., Gomes, Deb, Hill, E., Dardenne, Le, Barros, Pm, Loureiro, Paagl, Novaes, R., Pascutti, Pg

Publikováno v: Scopus-Elsevier
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Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::24a537225b844db320e88e7ed25c2ffe
http://www.scopus.com/inward/record.url?eid=2-s2.0-26444442041&partnerID=MN8TOARS

Integrating Dynamic Network Analysis with AI for Enhanced Epitope Prediction in PD-L1:Affibody Interactions.

Autor: Gomes DEB; Department of Physics, Auburn University, Auburn, Alabama 36849, United States., Yang B; Institute of Physical Chemistry, Department of Chemistry, University of Basel, Basel 4058, Switzerland.; Department of Biosystems Science and Engineering, ETH Zurich, Basel 4058, Switzerland., Vanella R; Institute of Physical Chemistry, Department of Chemistry, University of Basel, Basel 4058, Switzerland.; Department of Biosystems Science and Engineering, ETH Zurich, Basel 4058, Switzerland., Nash MA; Institute of Physical Chemistry, Department of Chemistry, University of Basel, Basel 4058, Switzerland.; Department of Biosystems Science and Engineering, ETH Zurich, Basel 4058, Switzerland., Bernardi RC; Department of Physics, Auburn University, Auburn, Alabama 36849, United States.

Publikováno v: Journal of the American Chemical Society [J Am Chem Soc] 2024 Aug 28; Vol. 146 (34), pp. 23842-23853. Date of Electronic Publication: 2024 Aug 15.

Deciphering molecular mechanisms stabilizing the reovirus-binding complex.

Autor: Dos Santos Natividade R; Louvain Institute of Biomolecular Science and Technology, NanoBiophysics lab, Université catholique de Louvain, 1348 Louvain-la-Neuve, Belgium., Koehler M; Louvain Institute of Biomolecular Science and Technology, NanoBiophysics lab, Université catholique de Louvain, 1348 Louvain-la-Neuve, Belgium.; Leibniz Institute for Food Systems Biology at the Technical University of Munich, 85354 Freising, Germany., Gomes PSFC; Department of Physics, Auburn University, Auburn, AL 36849., Simpson JD; Louvain Institute of Biomolecular Science and Technology, NanoBiophysics lab, Université catholique de Louvain, 1348 Louvain-la-Neuve, Belgium., Smith SC; Department of Pathology, Microbiology, and Immunology, Vanderbilt University Medical Center, 37232 Nashville, TN., Gomes DEB; Department of Physics, Auburn University, Auburn, AL 36849., de Lhoneux J; Louvain Institute of Biomolecular Science and Technology, NanoBiophysics lab, Université catholique de Louvain, 1348 Louvain-la-Neuve, Belgium., Yang J; Louvain Institute of Biomolecular Science and Technology, NanoBiophysics lab, Université catholique de Louvain, 1348 Louvain-la-Neuve, Belgium., Ray A; Louvain Institute of Biomolecular Science and Technology, NanoBiophysics lab, Université catholique de Louvain, 1348 Louvain-la-Neuve, Belgium., Dermody TS; Department of Pediatrics, University of Pittsburgh School of Medicine, Pittsburgh, PA 15213.; Department of Microbiology and Molecular Genetics, University of Pittsburgh School of Medicine, Pittsburgh, PA 15213.; Institute of Infection, Inflammation, and Immunity, University of Pittsburgh Medical Center, Children's Hospital of Pittsburgh, Pittsburgh, PA 15213., Bernardi RC; Department of Physics, Auburn University, Auburn, AL 36849., Ogden KM; Department of Pathology, Microbiology, and Immunology, Vanderbilt University Medical Center, 37232 Nashville, TN.; Department of Pediatrics, Division of Infectious Diseases, Vanderbilt University Medical Center, Nashville, TN 37232., Alsteens D; Louvain Institute of Biomolecular Science and Technology, NanoBiophysics lab, Université catholique de Louvain, 1348 Louvain-la-Neuve, Belgium.; Walloon Excellence in Life sciences and Biotechnology, Walloon Excellence Research Institute, 1300 Wavre, Belgium.

Publikováno v: Proceedings of the National Academy of Sciences of the United States of America [Proc Natl Acad Sci U S A] 2023 May 23; Vol. 120 (21), pp. e2220741120. Date of Electronic Publication: 2023 May 15.

Molecular Origins of Force-Dependent Protein Complex Stabilization during Bacterial Infections.

Autor: Melo MCR; Department of Physics, Auburn University, Auburn, Alabama 36849, United States., Gomes DEB; Department of Physics, Auburn University, Auburn, Alabama 36849, United States., Bernardi RC; Department of Physics, Auburn University, Auburn, Alabama 36849, United States.

Publikováno v: Journal of the American Chemical Society [J Am Chem Soc] 2023 Jan 11; Vol. 145 (1), pp. 70-77. Date of Electronic Publication: 2022 Dec 01.

Understanding xylose isomerase from Burkholderia cenocepacia: insights into structure and functionality for ethanol production.

Autor: Vieira IPV; Departamento de Bioquímica, Instituto de Química, Universidade Federal do Rio de Janeiro (UFRJ), Avenida Athos da Silveira Ramos, 149. Centro de Tecnologia, Bloco A, 5° andar, sala 537. Cidade Universitária, Rio de Janeiro, RJ, CEP: 21.941-909, Brazil.; Molecular Biology Laboratory, Biology Institute, Universidade de Brasília, Campus Darcy Ribeiro, Brasília, DF, Zip code: 70910-900, Brazil., Cordeiro GT; Departamento de Bioquímica, Instituto de Química, Universidade Federal do Rio de Janeiro (UFRJ), Avenida Athos da Silveira Ramos, 149. Centro de Tecnologia, Bloco A, 5° andar, sala 537. Cidade Universitária, Rio de Janeiro, RJ, CEP: 21.941-909, Brazil., Gomes DEB; Institut de Science et d'Iengénierie Supramoléculaires, Université de Strasbourg, 8 Allée Gaspard Monge, BP 70028, 67083, Strasbourg Cedex, France.; Diretoria de Metrologia Aplicada às Ciências da Vida, Instituto Nacional de Metrologia, Qualidade e Tecnologia, Duque de Caxias, 25.250-020, Brazil.; CAPES Foundation, Ministry of Education of Brazil, Brasilia, 70.040-020, Brazil., Melani RD; Departamento de Bioquímica, Instituto de Química, Universidade Federal do Rio de Janeiro (UFRJ), Avenida Athos da Silveira Ramos, 149. Centro de Tecnologia, Bloco A, 5° andar, sala 537. Cidade Universitária, Rio de Janeiro, RJ, CEP: 21.941-909, Brazil., Vilela LF; Departamento de Bioquímica, Instituto de Química, Universidade Federal do Rio de Janeiro (UFRJ), Avenida Athos da Silveira Ramos, 149. Centro de Tecnologia, Bloco A, 5° andar, sala 537. Cidade Universitária, Rio de Janeiro, RJ, CEP: 21.941-909, Brazil., Domont GB; Departamento de Bioquímica, Instituto de Química, Universidade Federal do Rio de Janeiro (UFRJ), Avenida Athos da Silveira Ramos, 149. Centro de Tecnologia, Bloco A, 5° andar, sala 537. Cidade Universitária, Rio de Janeiro, RJ, CEP: 21.941-909, Brazil., Mesquita RD; Departamento de Bioquímica, Instituto de Química, Universidade Federal do Rio de Janeiro (UFRJ), Avenida Athos da Silveira Ramos, 149. Centro de Tecnologia, Bloco A, 5° andar, sala 537. Cidade Universitária, Rio de Janeiro, RJ, CEP: 21.941-909, Brazil., Eleutherio ECA; Departamento de Bioquímica, Instituto de Química, Universidade Federal do Rio de Janeiro (UFRJ), Avenida Athos da Silveira Ramos, 149. Centro de Tecnologia, Bloco A, 5° andar, sala 537. Cidade Universitária, Rio de Janeiro, RJ, CEP: 21.941-909, Brazil., Neves BC; Departamento de Bioquímica, Instituto de Química, Universidade Federal do Rio de Janeiro (UFRJ), Avenida Athos da Silveira Ramos, 149. Centro de Tecnologia, Bloco A, 5° andar, sala 537. Cidade Universitária, Rio de Janeiro, RJ, CEP: 21.941-909, Brazil. bcneves@iq.ufrj.br.

Publikováno v: AMB Express [AMB Express] 2019 May 24; Vol. 9 (1), pp. 73. Date of Electronic Publication: 2019 May 24.