A spatially resolved elemental nanodomain organization within acidocalcisomes in Trypanosoma cruzi
Girard-Dias, Wendell, Augusto, Ingrid, V A Fernandes, Tácio, G Pascutti, Pedro, de Souza, Wanderley, Miranda, Kildare
Published in Proceedings of the National Academy of Sciences - PNAS (18.04.2023)
Published in Proceedings of the National Academy of Sciences - PNAS (18.04.2023)
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Journal Article
Improving Blind Docking in DOCK6 through an Automated Preliminary Fragment Probing Strategy
Jofily, Paula, Pascutti, Pedro G, Torres, Pedro H M
Published in Molecules (Basel, Switzerland) (25.02.2021)
Published in Molecules (Basel, Switzerland) (25.02.2021)
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Genetic diversity of the melanocortin-1 receptor in an admixed population of Rio de Janeiro: Structural and functional impacts of Cys35Tyr variant
Neitzke-Montinelli, Vanessa, da Silva Figueiredo Celestino Gomes, Priscila, Pascutti, Pedro G, Moura-Neto, Rodrigo S, Silva, Rosane
Published in PloS one (22.04.2022)
Published in PloS one (22.04.2022)
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Journal Article
Three Decades of Targeting Falcipains to Develop Antiplasmodial Agents: What have we Learned and What can be Done Next?
González, Jorge Enrique Hernández, Salas-Sarduy, Emir, Alvarez, Lilian Hernández, Valiente, Pedro Alberto, Arni, Raghuvir Krishnaswamy, Pascutti, Pedro Geraldo
Published in Current medicinal chemistry (01.01.2024)
Published in Current medicinal chemistry (01.01.2024)
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Journal Article
Anti-prion activity of a panel of aromatic chemical compounds: in vitro and in silico approaches
Ferreira, Natalia C, Marques, Icaro A, Conceição, Wesley A, Macedo, Bruno, Machado, Clarice S, Mascarello, Alessandra, Chiaradia-Delatorre, Louise Domeneghini, Yunes, Rosendo Augusto, Nunes, Ricardo José, Hughson, Andrew G, Raymond, Lynne D, Pascutti, Pedro G, Caughey, Byron, Cordeiro, Yraima
Published in PloS one (06.01.2014)
Published in PloS one (06.01.2014)
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Journal Article
Enzymatic and structural properties of human glutamine:fructose-6-phosphate amidotransferase 2 (hGFAT2)
Oliveira, Isadora A., Allonso, Diego, Fernandes, Tácio V.A., Lucena, Daniela M.S., Ventura, Gustavo T., Dias, Wagner Barbosa, Mohana-Borges, Ronaldo S., Pascutti, Pedro G., Todeschini, Adriane R.
Published in The Journal of biological chemistry (01.01.2021)
Published in The Journal of biological chemistry (01.01.2021)
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Journal Article
In silico identification of noncompetitive inhibitors targeting an uncharacterized allosteric site of falcipain-2
Hernández González, Jorge Enrique, Salas-Sarduy, Emir, Hernández Alvarez, Lilian, Barreto Gomes, Diego Enry, Pascutti, Pedro Geraldo, Oostenbrink, Chris, Leite, Vitor B. P.
Published in Journal of computer-aided molecular design (01.10.2021)
Published in Journal of computer-aided molecular design (01.10.2021)
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Journal Article
Insight on Mutation-Induced Resistance from Molecular Dynamics Simulations of the Native and Mutated CSF-1R and KIT
Da Silva Figueiredo Celestino Gomes, Priscila, Chauvot De Beauchêne, Isaure, Panel, Nicolas, Lopez, Sophie, De Sepulveda, Paulo, Geraldo Pascutti, Pedro, Solary, Eric, Tchertanov, Luba
Published in PloS one (28.07.2016)
Published in PloS one (28.07.2016)
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Journal Article
Structural and functional analysis of a platelet-activating lysophosphatidylcholine of Trypanosoma cruzi
Gazos-Lopes, Felipe, Oliveira, Mauricio M, Hoelz, Lucas V B, Vieira, Danielle P, Marques, Alexandre F, Nakayasu, Ernesto S, Gomes, Marta T, Salloum, Nasim G, Pascutti, Pedro G, Souto-Padrón, Thaïs, Monteiro, Robson Q, Lopes, Angela H, Almeida, Igor C
Published in PLoS neglected tropical diseases (01.08.2014)
Published in PLoS neglected tropical diseases (01.08.2014)
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Journal Article
A novel receptor for platelet‐activating factor and lysophosphatidylcholine in Trypanosoma cruzi
Coelho, Felipe S., Oliveira, Mauricio M., Vieira, Danielle P., Torres, Pedro H. M., Moreira, Isabel C. F., Martins‐Duarte, Erica S., Gonçalves, Inês C., Cabanelas, Adriana, Pascutti, Pedro G., Fragoso, Stenio P., Lopes, Angela H.
Published in Molecular microbiology (01.09.2021)
Published in Molecular microbiology (01.09.2021)
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Journal Article
Hybrid QM/MM Molecular Dynamics Study of Benzocaine in a Membrane Environment: How Does a Quantum Mechanical Treatment of Both Anesthetic and Lipids Affect Their Interaction
Bernardi, Rafael C, Pascutti, Pedro G
Published in Journal of chemical theory and computation (10.07.2012)
Published in Journal of chemical theory and computation (10.07.2012)
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Journal Article
The structural dynamics of the flavivirus fusion peptide-membrane interaction
Mendes, Ygara S, Alves, Nathalia S, Souza, Theo L F, Sousa, Jr, Ivanildo P, Bianconi, M Lucia, Bernardi, Rafael C, Pascutti, Pedro G, Silva, Jerson L, Gomes, Andre M O, Oliveira, Andréa C
Published in PloS one (19.10.2012)
Published in PloS one (19.10.2012)
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Journal Article
Theoretical studies and NMR assay of coumarins and neoflavanones derivatives as potential inhibitors of acetylcholinesterase
de Souza, Luana G., Moraes, Paula F., Leão, Raquel A.C., Costa, Paulo R.R., Soares, Rosemberg O., Pascutti, Pedro G., Figueroa-Villar, Jose D., Rennó, Magdalena N.
Published in Computational biology and chemistry (01.08.2020)
Published in Computational biology and chemistry (01.08.2020)
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Journal Article
High temperatures enhance cooperative motions between CBM and catalytic domains of a thermostable cellulase: mechanism insights from essential dynamics
RICARDO BATISTA, Paulo, GARCIA DE SOUZA COSTA, Mauricio, GERALDO PASCUTTI, Pedro, MASCARELLO BISCH, Paulo, DE SOUZA, Wanderley
Published in Physical chemistry chemical physics : PCCP (01.01.2011)
Published in Physical chemistry chemical physics : PCCP (01.01.2011)
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Journal Article
Identification of (4-(9H-fluoren-9-yl) piperazin-1-yl) methanone derivatives as falcipain 2 inhibitors active against Plasmodium falciparum cultures
Hernández-González, Jorge E., Salas-Sarduy, Emir, Hernández Ramírez, Luisa F., Pascual, María J., Álvarez, Diego E., Pabón, Adriana, Leite, Vitor B.P., Pascutti, Pedro G., Valiente, Pedro A.
Published in Biochimica et biophysica acta. General subjects (01.12.2018)
Published in Biochimica et biophysica acta. General subjects (01.12.2018)
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Journal Article
Insights into the Interactions of Fasciola hepatica Cathepsin L3 with a Substrate and Potential Novel Inhibitors through In Silico Approaches
Hernández Alvarez, Lilian, Naranjo Feliciano, Dany, Hernández González, Jorge Enrique, Soares, R O, Soares, Rosemberg de Oliveira, Barreto Gomes, Diego Enry, Pascutti, Pedro Geraldo
Published in PLoS neglected tropical diseases (01.05.2015)
Published in PLoS neglected tropical diseases (01.05.2015)
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Journal Article
The Role of Nonbonded Interactions in the Conformational Dynamics of Organophosphorous Hydrolase Adsorbed onto Functionalized Mesoporous Silica Surfaces
Gomes, Diego E. B, Lins, Roberto D, Pascutti, Pedro G, Lei, Chenghong, Soares, Thereza A
Published in The journal of physical chemistry. B (14.01.2010)
Published in The journal of physical chemistry. B (14.01.2010)
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Journal Article
Allosteric regulation of the Plasmodium falciparum cysteine protease falcipain-2 by heme
Marques, Adriana Fonseca, Gomes, Priscila S.F.C., Oliveira, Pedro L., Rosenthal, Philip J., Pascutti, Pedro G., Lima, Luis Mauricio T.R.
Published in Archives of biochemistry and biophysics (01.05.2015)
Published in Archives of biochemistry and biophysics (01.05.2015)
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Journal Article
How does heparin prevent the pH inactivation of cathepsin B? Allosteric mechanism elucidated by docking and molecular dynamics
Costa, Mauricio G S, Batista, Paulo R, Shida, Cláudio S, Robert, Charles H, Bisch, Paulo M, Pascutti, Pedro G
Published in BMC genomics (22.12.2010)
Published in BMC genomics (22.12.2010)
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Journal Article
Free Energy Profiles along Consensus Normal Modes Provide Insight into HIV-1 Protease Flap Opening
Batista, Paulo R, Pandey, Gaurav, Pascutti, Pedro G, Bisch, Paulo M, Perahia, David, Robert, Charles H
Published in Journal of chemical theory and computation (09.08.2011)
Published in Journal of chemical theory and computation (09.08.2011)
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