ReP USP - Resultado da busca

Artigo de periodico
Cooperative and structural relationships of the trimeric Spike with infectivity and antibody escape of the strains Delta (B.1.617.2) and Omicron (BA.2, BA.5, and BQ.1) (2023)
Souza, Anacleto Silva de ; Souza, Robson Francisco de ; Guzzo, Cristiane Rodrigues
Fonte: Journal of Computer-Aided Molecular Design. Unidade: ICB
Assuntos: MICROBIOLOGIA, HIDROGÊNIO, COVID-19, ANTICORPOS, MUTAÇÃO GENÉTICA, VARIAÇÃO GENÉTICA, PROTEÍNAS
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ABNT
SOUZA, Anacleto Silva de e SOUZA, Robson Francisco de e GUZZO, Cristiane Rodrigues. Cooperative and structural relationships of the trimeric Spike with infectivity and antibody escape of the strains Delta (B.1.617.2) and Omicron (BA.2, BA.5, and BQ.1). Journal of Computer-Aided Molecular Design, v. 37, n. 12, p. 585-606, 2023Tradução . . Disponível em: https://doi.org/10.1007/s10822-023-00534-0. Acesso em: 08 out. 2025.
APA
Souza, A. S. de, Souza, R. F. de, & Guzzo, C. R. (2023). Cooperative and structural relationships of the trimeric Spike with infectivity and antibody escape of the strains Delta (B.1.617.2) and Omicron (BA.2, BA.5, and BQ.1). Journal of Computer-Aided Molecular Design, 37( 12), 585-606. doi:10.1007/s10822-023-00534-0
NLM
Souza AS de, Souza RF de, Guzzo CR. Cooperative and structural relationships of the trimeric Spike with infectivity and antibody escape of the strains Delta (B.1.617.2) and Omicron (BA.2, BA.5, and BQ.1) [Internet]. Journal of Computer-Aided Molecular Design. 2023 ; 37( 12): 585-606.[citado 2025 out. 08 ] Available from: https://doi.org/10.1007/s10822-023-00534-0
Vancouver
Souza AS de, Souza RF de, Guzzo CR. Cooperative and structural relationships of the trimeric Spike with infectivity and antibody escape of the strains Delta (B.1.617.2) and Omicron (BA.2, BA.5, and BQ.1) [Internet]. Journal of Computer-Aided Molecular Design. 2023 ; 37( 12): 585-606.[citado 2025 out. 08 ] Available from: https://doi.org/10.1007/s10822-023-00534-0
Artigo de periodico
Parameterization of a coarse-grained model of cholesterol with point-dipole electrostatics (2018)
Siani, Paulo ; Khandelia, H.; Orsi, M.; Dias, Luís Gustavo
Fonte: Journal of Computer-Aided Molecular Design. Unidade: FFCLRP
Assuntos: COLESTEROL, QUÍMICA, TERMODINÂMICA, ELETROSTÁTICA
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ABNT
SIANI, Paulo et al. Parameterization of a coarse-grained model of cholesterol with point-dipole electrostatics. Journal of Computer-Aided Molecular Design, v. 32, n. 11, p. 1259-1271, 2018Tradução . . Disponível em: https://doi.org/10.1007/s10822-018-0164-4. Acesso em: 08 out. 2025.
APA
Siani, P., Khandelia, H., Orsi, M., & Dias, L. G. (2018). Parameterization of a coarse-grained model of cholesterol with point-dipole electrostatics. Journal of Computer-Aided Molecular Design, 32( 11), 1259-1271. doi:10.1007/s10822-018-0164-4
NLM
Siani P, Khandelia H, Orsi M, Dias LG. Parameterization of a coarse-grained model of cholesterol with point-dipole electrostatics [Internet]. Journal of Computer-Aided Molecular Design. 2018 ; 32( 11): 1259-1271.[citado 2025 out. 08 ] Available from: https://doi.org/10.1007/s10822-018-0164-4
Vancouver
Siani P, Khandelia H, Orsi M, Dias LG. Parameterization of a coarse-grained model of cholesterol with point-dipole electrostatics [Internet]. Journal of Computer-Aided Molecular Design. 2018 ; 32( 11): 1259-1271.[citado 2025 out. 08 ] Available from: https://doi.org/10.1007/s10822-018-0164-4
Artigo de periodico
Development of a pharmacophore for cruzain using oxadiazoles as virtual molecular probes: quantitative structure-activity relationship studies (2017)
Souza, Anacleto S.; Oliveira, Marcelo T.; Andricopulo, Adriano Defini
Fonte: Journal of Computer-Aided Molecular Design. Unidade: IFSC
Assuntos: QUÍMICA MÉDICA, PLANEJAMENTO DE FÁRMACOS, DOENÇA DE CHAGAS
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ABNT
SOUZA, Anacleto S. e OLIVEIRA, Marcelo T. e ANDRICOPULO, Adriano Defini. Development of a pharmacophore for cruzain using oxadiazoles as virtual molecular probes: quantitative structure-activity relationship studies. Journal of Computer-Aided Molecular Design, v. 31, n. 9, p. 801-816, 2017Tradução . . Disponível em: https://doi.org/10.1007/s10822-017-0039-0. Acesso em: 08 out. 2025.
APA
Souza, A. S., Oliveira, M. T., & Andricopulo, A. D. (2017). Development of a pharmacophore for cruzain using oxadiazoles as virtual molecular probes: quantitative structure-activity relationship studies. Journal of Computer-Aided Molecular Design, 31( 9), 801-816. doi:10.1007/s10822-017-0039-0
NLM
Souza AS, Oliveira MT, Andricopulo AD. Development of a pharmacophore for cruzain using oxadiazoles as virtual molecular probes: quantitative structure-activity relationship studies [Internet]. Journal of Computer-Aided Molecular Design. 2017 ; 31( 9): 801-816.[citado 2025 out. 08 ] Available from: https://doi.org/10.1007/s10822-017-0039-0
Vancouver
Souza AS, Oliveira MT, Andricopulo AD. Development of a pharmacophore for cruzain using oxadiazoles as virtual molecular probes: quantitative structure-activity relationship studies [Internet]. Journal of Computer-Aided Molecular Design. 2017 ; 31( 9): 801-816.[citado 2025 out. 08 ] Available from: https://doi.org/10.1007/s10822-017-0039-0
Artigo de periodico
Ligand- and receptor-based docking with LiBELa (2015)
Muniz, Heloisa dos Santos; Nascimento, Alessandro Silva
Fonte: Journal of Computer-Aided Molecular Design. Unidade: IFSC
Assuntos: LIGANTES, RECEPTORES, MOLÉCULA
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ABNT
MUNIZ, Heloisa dos Santos e NASCIMENTO, Alessandro Silva. Ligand- and receptor-based docking with LiBELa. Journal of Computer-Aided Molecular Design, v. 29, n. 8, p. 713-723, 2015Tradução . . Disponível em: https://doi.org/10.1007/s10822-015-9856-1. Acesso em: 08 out. 2025.
APA
Muniz, H. dos S., & Nascimento, A. S. (2015). Ligand- and receptor-based docking with LiBELa. Journal of Computer-Aided Molecular Design, 29( 8), 713-723. doi:10.1007/s10822-015-9856-1
NLM
Muniz H dos S, Nascimento AS. Ligand- and receptor-based docking with LiBELa [Internet]. Journal of Computer-Aided Molecular Design. 2015 ; 29( 8): 713-723.[citado 2025 out. 08 ] Available from: https://doi.org/10.1007/s10822-015-9856-1
Vancouver
Muniz H dos S, Nascimento AS. Ligand- and receptor-based docking with LiBELa [Internet]. Journal of Computer-Aided Molecular Design. 2015 ; 29( 8): 713-723.[citado 2025 out. 08 ] Available from: https://doi.org/10.1007/s10822-015-9856-1
Artigo de periodico
Ligand efficiency metrics considered harmful (2014)
Kenny, Peter W; Leitão, Andrei ; Montanari, Carlos Alberto
Fonte: Journal of Computer-Aided Molecular Design. Unidade: IQSC
Assuntos: QUÍMICA MÉDICA, ESTRUTURA QUÍMICA
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ABNT
KENNY, Peter W e LEITÃO, Andrei e MONTANARI, Carlos Alberto. Ligand efficiency metrics considered harmful. Journal of Computer-Aided Molecular Design, v. 28, n. 7, p. 699-710, 2014Tradução . . Disponível em: https://doi.org/10.1007/s10822-014-9757-8. Acesso em: 08 out. 2025.
APA
Kenny, P. W., Leitão, A., & Montanari, C. A. (2014). Ligand efficiency metrics considered harmful. Journal of Computer-Aided Molecular Design, 28( 7), 699-710. doi:10.1007/s10822-014-9757-8
NLM
Kenny PW, Leitão A, Montanari CA. Ligand efficiency metrics considered harmful [Internet]. Journal of Computer-Aided Molecular Design. 2014 ; 28( 7): 699-710.[citado 2025 out. 08 ] Available from: https://doi.org/10.1007/s10822-014-9757-8
Vancouver
Kenny PW, Leitão A, Montanari CA. Ligand efficiency metrics considered harmful [Internet]. Journal of Computer-Aided Molecular Design. 2014 ; 28( 7): 699-710.[citado 2025 out. 08 ] Available from: https://doi.org/10.1007/s10822-014-9757-8
Artigo de periodico
Inflation of correlation in the pursuit of drug-likeness (2013)
Kenny, Peter W; Montanari, Carlos Alberto
Fonte: Journal of Computer-Aided Molecular Design. Unidade: IQSC
Assuntos: QUÍMICA MÉDICA, ESTRUTURA QUÍMICA
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ABNT
KENNY, Peter W e MONTANARI, Carlos Alberto. Inflation of correlation in the pursuit of drug-likeness. Journal of Computer-Aided Molecular Design, v. 27, p. 1-13, 2013Tradução . . Disponível em: https://doi.org/10.1007/s10822-012-9631-5. Acesso em: 08 out. 2025.
APA
Kenny, P. W., & Montanari, C. A. (2013). Inflation of correlation in the pursuit of drug-likeness. Journal of Computer-Aided Molecular Design, 27, 1-13. doi:10.1007/s10822-012-9631-5
NLM
Kenny PW, Montanari CA. Inflation of correlation in the pursuit of drug-likeness [Internet]. Journal of Computer-Aided Molecular Design. 2013 ; 27 1-13.[citado 2025 out. 08 ] Available from: https://doi.org/10.1007/s10822-012-9631-5
Vancouver
Kenny PW, Montanari CA. Inflation of correlation in the pursuit of drug-likeness [Internet]. Journal of Computer-Aided Molecular Design. 2013 ; 27 1-13.[citado 2025 out. 08 ] Available from: https://doi.org/10.1007/s10822-012-9631-5
Artigo de periodico
ClogPalk: a method for predicting alkane/water partition coefficient (2013)
Kenny, Peter W; Montanari, Carlos Alberto ; Prokopczyk, Igor Muccilo
Fonte: Journal of Computer-Aided Molecular Design. Unidade: IQSC
Assuntos: QUÍMICA MÉDICA, ESTRUTURA QUÍMICA
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ABNT
KENNY, Peter W e MONTANARI, Carlos Alberto e PROKOPCZYK, Igor Muccilo. ClogPalk: a method for predicting alkane/water partition coefficient. Journal of Computer-Aided Molecular Design, v. 27, n. 5, p. 389-402, 2013Tradução . . Disponível em: https://doi.org/10.1007/s10822-013-9655-5. Acesso em: 08 out. 2025.
APA
Kenny, P. W., Montanari, C. A., & Prokopczyk, I. M. (2013). ClogPalk: a method for predicting alkane/water partition coefficient. Journal of Computer-Aided Molecular Design, 27( 5), 389-402. doi:10.1007/s10822-013-9655-5
NLM
Kenny PW, Montanari CA, Prokopczyk IM. ClogPalk: a method for predicting alkane/water partition coefficient [Internet]. Journal of Computer-Aided Molecular Design. 2013 ; 27( 5): 389-402.[citado 2025 out. 08 ] Available from: https://doi.org/10.1007/s10822-013-9655-5
Vancouver
Kenny PW, Montanari CA, Prokopczyk IM. ClogPalk: a method for predicting alkane/water partition coefficient [Internet]. Journal of Computer-Aided Molecular Design. 2013 ; 27( 5): 389-402.[citado 2025 out. 08 ] Available from: https://doi.org/10.1007/s10822-013-9655-5
Artigo de periodico
Automated molecule editing in molecular design (2013)
Kenny, Peter W; Montanari, Carlos Alberto ; Prokopczyk, Igor Muccilo; Sala, Fernanda A; Sartori, Geraldo Rodrigues
Fonte: Journal of Computer-Aided Molecular Design. Unidade: IQSC
Assuntos: QUÍMICA MÉDICA, ESTRUTURA QUÍMICA
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ABNT
KENNY, Peter W et al. Automated molecule editing in molecular design. Journal of Computer-Aided Molecular Design, v. 27, n. 8, p. 655-664, 2013Tradução . . Disponível em: https://doi.org/10.1007/s10822-013-9676-0. Acesso em: 08 out. 2025.
APA
Kenny, P. W., Montanari, C. A., Prokopczyk, I. M., Sala, F. A., & Sartori, G. R. (2013). Automated molecule editing in molecular design. Journal of Computer-Aided Molecular Design, 27( 8), 655-664. doi:10.1007/s10822-013-9676-0
NLM
Kenny PW, Montanari CA, Prokopczyk IM, Sala FA, Sartori GR. Automated molecule editing in molecular design [Internet]. Journal of Computer-Aided Molecular Design. 2013 ; 27( 8): 655-664.[citado 2025 out. 08 ] Available from: https://doi.org/10.1007/s10822-013-9676-0
Vancouver
Kenny PW, Montanari CA, Prokopczyk IM, Sala FA, Sartori GR. Automated molecule editing in molecular design [Internet]. Journal of Computer-Aided Molecular Design. 2013 ; 27( 8): 655-664.[citado 2025 out. 08 ] Available from: https://doi.org/10.1007/s10822-013-9676-0
Artigo de periodico
Extensive structural change of the envelope protein of dengue virus induced by a tuned ionic strength: conformational and energetic analyses (2012)
Degrève, Léo; Fuzo, Carlos A.; Caliri, Antônio
Fonte: Journal of Computer-Aided Molecular Design. Unidades: FFCLRP, FCFRP
Assuntos: FLAVIVIRUS, DENGUE, FÍSICO-QUÍMICA
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ABNT
DEGRÈVE, Léo e FUZO, Carlos A. e CALIRI, Antônio. Extensive structural change of the envelope protein of dengue virus induced by a tuned ionic strength: conformational and energetic analyses. Journal of Computer-Aided Molecular Design, v. 26, n. 12, p. 1311-1325, 2012Tradução . . Disponível em: https://doi.org/10.1007/s10822-012-9616-4. Acesso em: 08 out. 2025.
APA
Degrève, L., Fuzo, C. A., & Caliri, A. (2012). Extensive structural change of the envelope protein of dengue virus induced by a tuned ionic strength: conformational and energetic analyses. Journal of Computer-Aided Molecular Design, 26( 12), 1311-1325. doi:10.1007/s10822-012-9616-4
NLM
Degrève L, Fuzo CA, Caliri A. Extensive structural change of the envelope protein of dengue virus induced by a tuned ionic strength: conformational and energetic analyses [Internet]. Journal of Computer-Aided Molecular Design. 2012 ; 26( 12): 1311-1325.[citado 2025 out. 08 ] Available from: https://doi.org/10.1007/s10822-012-9616-4
Vancouver
Degrève L, Fuzo CA, Caliri A. Extensive structural change of the envelope protein of dengue virus induced by a tuned ionic strength: conformational and energetic analyses [Internet]. Journal of Computer-Aided Molecular Design. 2012 ; 26( 12): 1311-1325.[citado 2025 out. 08 ] Available from: https://doi.org/10.1007/s10822-012-9616-4
Artigo de periodico
Homology modeling and molecular interaction field studies of 'alfa'-glucosidases as a guide to structure-based design of novel proposed anti-HIV inhibitors (2005)
Tomich, C. H.; Silva, P. da; Carvalho, Ivone; Taft, C. A.
Fonte: Journal of Computer-Aided Molecular Design. Unidade: FCFRP
Assunto: SÍNDROME DE IMUNODEFICIÊNCIA ADQUIRIDA (TRATAMENTO)
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ABNT
TOMICH, C. H. et al. Homology modeling and molecular interaction field studies of 'alfa'-glucosidases as a guide to structure-based design of novel proposed anti-HIV inhibitors. Journal of Computer-Aided Molecular Design, v. 19, p. 83-92, 2005Tradução . . Disponível em: https://doi.org/10.1007/s10822-005-1486-6. Acesso em: 08 out. 2025.
APA
Tomich, C. H., Silva, P. da, Carvalho, I., & Taft, C. A. (2005). Homology modeling and molecular interaction field studies of 'alfa'-glucosidases as a guide to structure-based design of novel proposed anti-HIV inhibitors. Journal of Computer-Aided Molecular Design, 19, 83-92. doi:10.1007/s10822-005-1486-6
NLM
Tomich CH, Silva P da, Carvalho I, Taft CA. Homology modeling and molecular interaction field studies of 'alfa'-glucosidases as a guide to structure-based design of novel proposed anti-HIV inhibitors [Internet]. Journal of Computer-Aided Molecular Design. 2005 ; 19 83-92.[citado 2025 out. 08 ] Available from: https://doi.org/10.1007/s10822-005-1486-6
Vancouver
Tomich CH, Silva P da, Carvalho I, Taft CA. Homology modeling and molecular interaction field studies of 'alfa'-glucosidases as a guide to structure-based design of novel proposed anti-HIV inhibitors [Internet]. Journal of Computer-Aided Molecular Design. 2005 ; 19 83-92.[citado 2025 out. 08 ] Available from: https://doi.org/10.1007/s10822-005-1486-6
Artigo de periodico
Forde-field parametrization and molecular dynamics simulations of p-menthan-3,9-diosl : a family of amphiphilic compounds derived from terpenoids (2001)
Namba, Adriana Mieco; León, Salvador; Silva, Gil Valdo José da; Alemán, Carlos
Fonte: Journal of Computer-Aided Molecular Design. Unidade: FFCLRP
Assunto: QUÍMICA
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ABNT
NAMBA, Adriana Mieco et al. Forde-field parametrization and molecular dynamics simulations of p-menthan-3,9-diosl : a family of amphiphilic compounds derived from terpenoids. Journal of Computer-Aided Molecular Design, v. 15, p. 235-245, 2001Tradução . . Acesso em: 08 out. 2025.
APA
Namba, A. M., León, S., Silva, G. V. J. da, & Alemán, C. (2001). Forde-field parametrization and molecular dynamics simulations of p-menthan-3,9-diosl : a family of amphiphilic compounds derived from terpenoids. Journal of Computer-Aided Molecular Design, 15, 235-245.
NLM
Namba AM, León S, Silva GVJ da, Alemán C. Forde-field parametrization and molecular dynamics simulations of p-menthan-3,9-diosl : a family of amphiphilic compounds derived from terpenoids. Journal of Computer-Aided Molecular Design. 2001 ; 15 235-245.[citado 2025 out. 08 ]
Vancouver
Namba AM, León S, Silva GVJ da, Alemán C. Forde-field parametrization and molecular dynamics simulations of p-menthan-3,9-diosl : a family of amphiphilic compounds derived from terpenoids. Journal of Computer-Aided Molecular Design. 2001 ; 15 235-245.[citado 2025 out. 08 ]
Artigo de periodico
PAPQMD parametrization of molecular systems with cyclopropyl rings: conformational study of homopeptides constituted by 1-aminocyclopropane-1-carboxylic acid (1998)
Alemán, Carlos; Casanovas, Jordi; Galembeck, Sérgio Emanuel
Fonte: Journal of Computer-Aided Molecular Design. Unidade: FFCLRP
Assunto: QUÍMICA TEÓRICA
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ABNT
ALEMÁN, Carlos e CASANOVAS, Jordi e GALEMBECK, Sérgio Emanuel. PAPQMD parametrization of molecular systems with cyclopropyl rings: conformational study of homopeptides constituted by 1-aminocyclopropane-1-carboxylic acid. Journal of Computer-Aided Molecular Design, v. 12, p. 259-273, 1998Tradução . . Acesso em: 08 out. 2025.
APA
Alemán, C., Casanovas, J., & Galembeck, S. E. (1998). PAPQMD parametrization of molecular systems with cyclopropyl rings: conformational study of homopeptides constituted by 1-aminocyclopropane-1-carboxylic acid. Journal of Computer-Aided Molecular Design, 12, 259-273.
NLM
Alemán C, Casanovas J, Galembeck SE. PAPQMD parametrization of molecular systems with cyclopropyl rings: conformational study of homopeptides constituted by 1-aminocyclopropane-1-carboxylic acid. Journal of Computer-Aided Molecular Design. 1998 ; 12 259-273.[citado 2025 out. 08 ]
Vancouver
Alemán C, Casanovas J, Galembeck SE. PAPQMD parametrization of molecular systems with cyclopropyl rings: conformational study of homopeptides constituted by 1-aminocyclopropane-1-carboxylic acid. Journal of Computer-Aided Molecular Design. 1998 ; 12 259-273.[citado 2025 out. 08 ]
Artigo de periodico
The reconstruction of atomic co-ordinates from a protein stereo ribbon diagram when additional information for sufficient sidechain positions is available (1998)
Oliveira, Paulo Sérgio Lopes de; Garratt, Richard Charles
Fonte: Journal of Computer-Aided Molecular Design. Unidade: IFSC
Assuntos: PROTEÍNAS, BIOLOGIA MOLECULAR, MATÉRIA CONDENSADA
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ABNT
OLIVEIRA, Paulo Sérgio Lopes de e GARRATT, Richard Charles. The reconstruction of atomic co-ordinates from a protein stereo ribbon diagram when additional information for sufficient sidechain positions is available. Journal of Computer-Aided Molecular Design, v. 12, p. 605-614, 1998Tradução . . Acesso em: 08 out. 2025.
APA
Oliveira, P. S. L. de, & Garratt, R. C. (1998). The reconstruction of atomic co-ordinates from a protein stereo ribbon diagram when additional information for sufficient sidechain positions is available. Journal of Computer-Aided Molecular Design, 12, 605-614.
NLM
Oliveira PSL de, Garratt RC. The reconstruction of atomic co-ordinates from a protein stereo ribbon diagram when additional information for sufficient sidechain positions is available. Journal of Computer-Aided Molecular Design. 1998 ;12 605-614.[citado 2025 out. 08 ]
Vancouver
Oliveira PSL de, Garratt RC. The reconstruction of atomic co-ordinates from a protein stereo ribbon diagram when additional information for sufficient sidechain positions is available. Journal of Computer-Aided Molecular Design. 1998 ;12 605-614.[citado 2025 out. 08 ]

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