Filtros : "Molecular dynamics simulations" Limpar

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  • Source: Anais. Conference titles: Reunião Anual da Sociedade Brasileira de Química - RASBQ. Unidade: IQSC

    Subjects: NANOPARTÍCULAS, ADSORÇÃO

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      BERNARDINO, Kalil et al. Why does the tail matter?: Cation alkyl group modulates the interaction of ionic liquids with nano and biomaterials. 2025, Anais.. São Paulo: Instituto de Química de São Carlos, Universidade de São Paulo, 2025. Disponível em: https://www.sbq.org.br/48ra/anexos/ANAIS-48rasbq.pdf. Acesso em: 05 jan. 2026.
    • APA

      Bernardino, K., Eliasquevici, R., Dias, L. R., Silva, L. O. X., Rosario, L. B. D., Costa, A. P. da, et al. (2025). Why does the tail matter?: Cation alkyl group modulates the interaction of ionic liquids with nano and biomaterials. In Anais. São Paulo: Instituto de Química de São Carlos, Universidade de São Paulo. Recuperado de https://www.sbq.org.br/48ra/anexos/ANAIS-48rasbq.pdf
    • NLM

      Bernardino K, Eliasquevici R, Dias LR, Silva LOX, Rosario LBD, Costa AP da, Fernandes PHL, Kanegawa AYO. Why does the tail matter?: Cation alkyl group modulates the interaction of ionic liquids with nano and biomaterials [Internet]. Anais. 2025 ;[citado 2026 jan. 05 ] Available from: https://www.sbq.org.br/48ra/anexos/ANAIS-48rasbq.pdf
    • Vancouver

      Bernardino K, Eliasquevici R, Dias LR, Silva LOX, Rosario LBD, Costa AP da, Fernandes PHL, Kanegawa AYO. Why does the tail matter?: Cation alkyl group modulates the interaction of ionic liquids with nano and biomaterials [Internet]. Anais. 2025 ;[citado 2026 jan. 05 ] Available from: https://www.sbq.org.br/48ra/anexos/ANAIS-48rasbq.pdf
    GDS 03. Good health and well-beingGDS 03. Good health and well-being
  • Source: Protein Science. Unidade: IQSC

    Subjects: TRYPANOSOMA CRUZI, DOENÇA DE CHAGAS

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      COSTA, Clauber H. S. da et al. Evaluating the protonation state of the catalytic Cys25 in cruzain cysteine protease: A target for Chagas disease. Protein Science, v. 34, p. e70283, 2025Tradução . . Disponível em: https://doi.org/10.1002/pro.70283. Acesso em: 05 jan. 2026.
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      Costa, C. H. S. da, Bonatto, V., Santos, H. B. T., Souza, C. G. da S. de, Montanari, C. A., Skaf, M. S., et al. (2025). Evaluating the protonation state of the catalytic Cys25 in cruzain cysteine protease: A target for Chagas disease. Protein Science, 34, e70283. doi:10.1002/pro.70283
    • NLM

      Costa CHS da, Bonatto V, Santos HBT, Souza CG da S de, Montanari CA, Skaf MS, Luque FJ, Lameira J. Evaluating the protonation state of the catalytic Cys25 in cruzain cysteine protease: A target for Chagas disease [Internet]. Protein Science. 2025 ; 34e70283.[citado 2026 jan. 05 ] Available from: https://doi.org/10.1002/pro.70283
    • Vancouver

      Costa CHS da, Bonatto V, Santos HBT, Souza CG da S de, Montanari CA, Skaf MS, Luque FJ, Lameira J. Evaluating the protonation state of the catalytic Cys25 in cruzain cysteine protease: A target for Chagas disease [Internet]. Protein Science. 2025 ; 34e70283.[citado 2026 jan. 05 ] Available from: https://doi.org/10.1002/pro.70283
  • Source: FEBS Journal. Unidades: IFSC, FFCLRP, FCFRP

    Subjects: SIMULAÇÃO DE SISTEMAS, BIOFÍSICA, ENZIMAS, FLUORESCÊNCIA, SPINTRÔNICA

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      MOLINA, Gustavo Avelar et al. Mapping secondary substrate-binding sites on the GH11 xylanase from Bacillus subtilis. FEBS Journal, v. 598, n. 3, p. 363-376, 2024Tradução . . Disponível em: https://doi.org/10.1002/1873-3468.14799. Acesso em: 05 jan. 2026.
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      Molina, G. A., Mendes, L. F. S., Fuzo, C. A., Costa Filho, A. J. da, & Ward, R. J. (2024). Mapping secondary substrate-binding sites on the GH11 xylanase from Bacillus subtilis. FEBS Journal, 598( 3), 363-376. doi:10.1002/1873-3468.14799
    • NLM

      Molina GA, Mendes LFS, Fuzo CA, Costa Filho AJ da, Ward RJ. Mapping secondary substrate-binding sites on the GH11 xylanase from Bacillus subtilis [Internet]. FEBS Journal. 2024 ; 598( 3): 363-376.[citado 2026 jan. 05 ] Available from: https://doi.org/10.1002/1873-3468.14799
    • Vancouver

      Molina GA, Mendes LFS, Fuzo CA, Costa Filho AJ da, Ward RJ. Mapping secondary substrate-binding sites on the GH11 xylanase from Bacillus subtilis [Internet]. FEBS Journal. 2024 ; 598( 3): 363-376.[citado 2026 jan. 05 ] Available from: https://doi.org/10.1002/1873-3468.14799
  • Source: Livro de Resumos. Conference titles: Semana Integrada do Instituto de Física de São Carlos - SIFSC. Unidade: IFSC

    Subjects: POLÍMEROS (MATERIAIS), FILMES FINOS, DIELÉTRICOS, MEMBRANAS CELULARES

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      ZAPATA, Juan Carlos Burbano e MOURA, André Farias de e OLIVEIRA JUNIOR, Osvaldo Novais de. Dielectric profile of a Langmuir hydrated membrane model by molecular dynamics simulation. 2021, Anais.. São Carlos: Instituto de Física de São Carlos - IFSC, 2021. Disponível em: https://repositorio.usp.br/directbitstream/e7a69be0-da2a-4df4-98a5-be78fdb476f2/3057180.pdf. Acesso em: 05 jan. 2026.
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      Zapata, J. C. B., Moura, A. F. de, & Oliveira Junior, O. N. de. (2021). Dielectric profile of a Langmuir hydrated membrane model by molecular dynamics simulation. In Livro de Resumos. São Carlos: Instituto de Física de São Carlos - IFSC. Recuperado de https://repositorio.usp.br/directbitstream/e7a69be0-da2a-4df4-98a5-be78fdb476f2/3057180.pdf
    • NLM

      Zapata JCB, Moura AF de, Oliveira Junior ON de. Dielectric profile of a Langmuir hydrated membrane model by molecular dynamics simulation [Internet]. Livro de Resumos. 2021 ;[citado 2026 jan. 05 ] Available from: https://repositorio.usp.br/directbitstream/e7a69be0-da2a-4df4-98a5-be78fdb476f2/3057180.pdf
    • Vancouver

      Zapata JCB, Moura AF de, Oliveira Junior ON de. Dielectric profile of a Langmuir hydrated membrane model by molecular dynamics simulation [Internet]. Livro de Resumos. 2021 ;[citado 2026 jan. 05 ] Available from: https://repositorio.usp.br/directbitstream/e7a69be0-da2a-4df4-98a5-be78fdb476f2/3057180.pdf
  • Source: Molecular Simulation. Unidade: IFSC

    Subjects: PROTEÍNAS, CRISTALOGRAFIA

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      ZAPATA, Juan Carlos Burbano e CORREA, H. e PEÑA-LARA, Diego. A new position in α-RbAg4I5 at room temperature by molecular dynamics simulations. Molecular Simulation, v. 46, n. 5, p. 375-379, 2020Tradução . . Disponível em: https://doi.org/10.1080/08927022.2019.1710143. Acesso em: 05 jan. 2026.
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      Zapata, J. C. B., Correa, H., & Peña-Lara, D. (2020). A new position in α-RbAg4I5 at room temperature by molecular dynamics simulations. Molecular Simulation, 46( 5), 375-379. doi:10.1080/08927022.2019.1710143
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      Zapata JCB, Correa H, Peña-Lara D. A new position in α-RbAg4I5 at room temperature by molecular dynamics simulations [Internet]. Molecular Simulation. 2020 ; 46( 5): 375-379.[citado 2026 jan. 05 ] Available from: https://doi.org/10.1080/08927022.2019.1710143
    • Vancouver

      Zapata JCB, Correa H, Peña-Lara D. A new position in α-RbAg4I5 at room temperature by molecular dynamics simulations [Internet]. Molecular Simulation. 2020 ; 46( 5): 375-379.[citado 2026 jan. 05 ] Available from: https://doi.org/10.1080/08927022.2019.1710143
  • Source: Biochimica et Biophysica Acta: General Subjects. Unidade: IFSC

    Subjects: ENZIMAS, BIOTECNOLOGIA, HIDRÓLISE

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      SONODA, Milton T. et al. Structure and dynamics of Trichoderma harzianum Cel7B suggest molecular architecture adaptations required for a wide spectrum of activities on plant cell wall polysaccharides. Biochimica et Biophysica Acta: General Subjects, v. 1863, n. 6, p. 1015-1026, 2019Tradução . . Disponível em: https://doi.org/10.1016/j.bbagen.2019.03.013. Acesso em: 05 jan. 2026.
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      Sonoda, M. T., Godoy, A. S., Pellegrini, V. O. A., Kadowaki, M. A. S., Nascimento, A. S., & Polikarpov, I. (2019). Structure and dynamics of Trichoderma harzianum Cel7B suggest molecular architecture adaptations required for a wide spectrum of activities on plant cell wall polysaccharides. Biochimica et Biophysica Acta: General Subjects, 1863( 6), 1015-1026. doi:10.1016/j.bbagen.2019.03.013
    • NLM

      Sonoda MT, Godoy AS, Pellegrini VOA, Kadowaki MAS, Nascimento AS, Polikarpov I. Structure and dynamics of Trichoderma harzianum Cel7B suggest molecular architecture adaptations required for a wide spectrum of activities on plant cell wall polysaccharides [Internet]. Biochimica et Biophysica Acta: General Subjects. 2019 ; 1863( 6): 1015-1026.[citado 2026 jan. 05 ] Available from: https://doi.org/10.1016/j.bbagen.2019.03.013
    • Vancouver

      Sonoda MT, Godoy AS, Pellegrini VOA, Kadowaki MAS, Nascimento AS, Polikarpov I. Structure and dynamics of Trichoderma harzianum Cel7B suggest molecular architecture adaptations required for a wide spectrum of activities on plant cell wall polysaccharides [Internet]. Biochimica et Biophysica Acta: General Subjects. 2019 ; 1863( 6): 1015-1026.[citado 2026 jan. 05 ] Available from: https://doi.org/10.1016/j.bbagen.2019.03.013
  • Source: Abstract Book. Conference titles: Brazilian-German Workshop on Applied Surface Science - BGW. Unidade: IFSC

    Subjects: POLÍMEROS (MATERIAIS), FILMES FINOS

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      SANTOS, J. C. C. et al. Structure and dynamics of water adsorbed on the gypsum (010) surface. 2018, Anais.. Eggenstein-Leopoldshafen: Institut für Funktionelle Grenzflächen - IFG, 2018. Disponível em: http://10bgw.org/Abstract_Book_BGW_2018.pdf. Acesso em: 05 jan. 2026.
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      Santos, J. C. C., Negreiros, F. R., Pedroza, L. S., Dalpian, G. M., & Miranda, P. B. (2018). Structure and dynamics of water adsorbed on the gypsum (010) surface. In Abstract Book. Eggenstein-Leopoldshafen: Institut für Funktionelle Grenzflächen - IFG. Recuperado de http://10bgw.org/Abstract_Book_BGW_2018.pdf
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      Santos JCC, Negreiros FR, Pedroza LS, Dalpian GM, Miranda PB. Structure and dynamics of water adsorbed on the gypsum (010) surface [Internet]. Abstract Book. 2018 ;[citado 2026 jan. 05 ] Available from: http://10bgw.org/Abstract_Book_BGW_2018.pdf
    • Vancouver

      Santos JCC, Negreiros FR, Pedroza LS, Dalpian GM, Miranda PB. Structure and dynamics of water adsorbed on the gypsum (010) surface [Internet]. Abstract Book. 2018 ;[citado 2026 jan. 05 ] Available from: http://10bgw.org/Abstract_Book_BGW_2018.pdf
  • Source: International Journal of Biological Macromolecules. Unidades: FFCLRP, FMRP

    Subjects: PROTEÍNAS, BACTÉRIAS, MUTAÇÃO, POLISSACARÍDEOS, RECEPTORES DE SUPERFÍCIE CELULAR

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      FURTADO, Gilvan Pessoa et al. Engineering the affinity of a family 11 carbohydrate binding module to improve binding of branched over unbranched polysaccharides. International Journal of Biological Macromolecules, v. 120, p. 2509-2516, 2018Tradução . . Disponível em: https://doi.org/10.1016/j.ijbiomac.2018.09.022. Acesso em: 05 jan. 2026.
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      Furtado, G. P., Lourenzoni, M. R., Fuzo, C. A., Fonseca-Maldonado, R., Guazzaroni, M. -E., Ribeiro, L. F., & Ward, R. J. (2018). Engineering the affinity of a family 11 carbohydrate binding module to improve binding of branched over unbranched polysaccharides. International Journal of Biological Macromolecules, 120, 2509-2516. doi:10.1016/j.ijbiomac.2018.09.022
    • NLM

      Furtado GP, Lourenzoni MR, Fuzo CA, Fonseca-Maldonado R, Guazzaroni M-E, Ribeiro LF, Ward RJ. Engineering the affinity of a family 11 carbohydrate binding module to improve binding of branched over unbranched polysaccharides [Internet]. International Journal of Biological Macromolecules. 2018 ; 120 2509-2516.[citado 2026 jan. 05 ] Available from: https://doi.org/10.1016/j.ijbiomac.2018.09.022
    • Vancouver

      Furtado GP, Lourenzoni MR, Fuzo CA, Fonseca-Maldonado R, Guazzaroni M-E, Ribeiro LF, Ward RJ. Engineering the affinity of a family 11 carbohydrate binding module to improve binding of branched over unbranched polysaccharides [Internet]. International Journal of Biological Macromolecules. 2018 ; 120 2509-2516.[citado 2026 jan. 05 ] Available from: https://doi.org/10.1016/j.ijbiomac.2018.09.022
  • Source: Toxicon. Unidade: FCFRP

    Subjects: AMINOÁCIDOS, VENENOS DE ORIGEM ANIMAL, CRISTALOGRAFIA DE RAIOS X, VIPERIDAE

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      FELICIANO, Patricia Rosa et al. Crystal structure and molecular dynamics studies of L-amino acid oxidase from Bothrops atrox. Toxicon, v. 128, p. 50-59, 2017Tradução . . Disponível em: https://doi.org/10.1016/j.toxicon.2017.01.017. Acesso em: 05 jan. 2026.
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      Feliciano, P. R., Rustiguel, J. K., Soares, R. O. dos S., Sampaio, S. V., & Nonato, M. C. (2017). Crystal structure and molecular dynamics studies of L-amino acid oxidase from Bothrops atrox. Toxicon, 128, 50-59. doi:10.1016/j.toxicon.2017.01.017
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      Feliciano PR, Rustiguel JK, Soares RO dos S, Sampaio SV, Nonato MC. Crystal structure and molecular dynamics studies of L-amino acid oxidase from Bothrops atrox [Internet]. Toxicon. 2017 ; 128 50-59.[citado 2026 jan. 05 ] Available from: https://doi.org/10.1016/j.toxicon.2017.01.017
    • Vancouver

      Feliciano PR, Rustiguel JK, Soares RO dos S, Sampaio SV, Nonato MC. Crystal structure and molecular dynamics studies of L-amino acid oxidase from Bothrops atrox [Internet]. Toxicon. 2017 ; 128 50-59.[citado 2026 jan. 05 ] Available from: https://doi.org/10.1016/j.toxicon.2017.01.017

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