المؤلفون: Gonçalves, Arlan da Silva, França, Tanos C. C., Figueroa-Villar, José D., Pascutti, Pedro G.

المصدر: Journal of the Brazilian Chemical Society. January 2011 22(1)

مصطلحات موضوعية: QM/MM studies, acethylcolinesterase, molecular dynamics, pralidoxime

وصف الملف: text/html

URL الوصول: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532011000100021

المؤلفون: Gonçalves, Arlan da Silva, França, Tanos C. C., Figueroa-Villar, José D., Pascutti, Pedro G.

المصدر: Journal of the Brazilian Chemical Society. January 2010 21(1)

مصطلحات موضوعية: acetylcholinesterase, conformational analysis, oximes, neurotoxic agents Introduction

وصف الملف: text/html

URL الوصول: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532010000100025

المؤلفون: Gonçalves, Arlan S., Caffarena, Ernesto R., Pascutti, Pedro G.

المصدر: Journal of the Brazilian Chemical Society. January 2009 20(7)

مصطلحات موضوعية: benzene, molecular dynamics, hydrophobic effect, pressure effect

وصف الملف: text/html

URL الوصول: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532009000700005

المؤلفون: França, Tanos C. C., Wilter, Alan, Ramalho, Teodorico C., Pascutti, Pedro G., Figueroa-Villar, José D.

المصدر: Journal of the Brazilian Chemical Society. December 2006 17(7)

مصطلحات موضوعية: antimalarial chemotherapy, drug design, molecular dynamics, Plasmodium falciparum SHMT, selective enzymatic inhibition

وصف الملف: text/html

URL الوصول: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532006000700028

المؤلفون: Neitzke-Montinelli, Vanessa, da Silva Figueiredo Celestino Gomes, Priscila, Pascutti, Pedro G., Moura-Neto, Rodrigo S., Silva, Rosane

المساهمون: Zheng, Yonglan, FAPERJ, Fundação Carlos Chagas Filho de Amparo à Pesquisa do Estado do Rio de Janeiro, Coordenação de Aperfeiçoamento de Pessoal de Nível Superior, Conselho Nacional de Desenvolvimento Científico e Tecnológico

المصدر: PLOS ONE ; volume 17, issue 4, page e0267286 ; ISSN 1932-6203

الاتاحة: http://dx.doi.org/10.1371/journal.pone.0267286
https://dx.plos.org/10.1371/journal.pone.0267286

المؤلفون: 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.

المساهمون: MCTI | Conselho Nacional de Desenvolvimento Científico e Tecnológico, Fundação Carlos Chagas Filho de Amparo à Pesquisa do Estado do Rio de Janeiro

المصدر: Journal of Biological Chemistry ; volume 296, page 100180 ; ISSN 0021-9258

الاتاحة: http://dx.doi.org/10.1074/jbc.ra120.015189
https://api.elsevier.com/content/article/PII:S0021925820001763?httpAccept=text/xml
https://api.elsevier.com/content/article/PII:S0021925820001763?httpAccept=text/plain
https://syndication.highwire.org/content/doi/10.1074/jbc.RA120.015189

المؤلفون: da Silva Figueiredo Celestino Gomes, Priscilla, Chauvot de Beauchêne, Isaure, Panel, Nicolas, Lopes, Sophie, de Sepulveda, Paulo, Pascutti, Pedro G, Solary, E, Tchertanov, Luba

المساهمون: Laboratoire de Biologie et de Pharmacologie Appliquée (LBPA), École normale supérieure - Cachan (ENS Cachan)-Centre National de la Recherche Scientifique (CNRS), Instituto de Biofísica Carlos Chagas Filho Rio de Janeiro (IBCCF / UFRJ), Universidade Federal do Rio de Janeiro Brasil = Federal University of Rio de Janeiro Brazil = Université fédérale de Rio de Janeiro Brésil (UFRJ), Computational Algorithms for Protein Structures and Interactions (CAPSID), Inria Nancy - Grand Est, Institut National de Recherche en Informatique et en Automatique (Inria)-Institut National de Recherche en Informatique et en Automatique (Inria)-Department of Complex Systems, Artificial Intelligence & Robotics (LORIA - AIS), Laboratoire Lorrain de Recherche en Informatique et ses Applications (LORIA), Institut National de Recherche en Informatique et en Automatique (Inria)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche en Informatique et en Automatique (Inria)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS)-Laboratoire Lorrain de Recherche en Informatique et ses Applications (LORIA), Institut National de Recherche en Informatique et en Automatique (Inria)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS)-Université de Lorraine (UL)-Centre National de la Recherche Scientifique (CNRS), Centre de Recherche en Cancérologie de Marseille (CRCM), Aix Marseille Université (AMU)-Institut Paoli-Calmettes (IPC), Fédération nationale des Centres de lutte contre le Cancer (FNCLCC)-Fédération nationale des Centres de lutte contre le Cancer (FNCLCC)-Institut National de la Santé et de la Recherche Médicale (INSERM)-Centre National de la Recherche Scientifique (CNRS), Hématopoïèse normale et pathologique, Université Paris-Sud - Paris 11 (UP11)-Institut Gustave Roussy (IGR)-Institut National de la Santé et de la Recherche Médicale (INSERM), Centre de Mathématiques et de Leurs Applications (CMLA)

المصدر: ISSN: 1932-6203.

مصطلحات موضوعية: CSF-1R mutation, KIT mutation, Molecular Dynamics Simulations, Imatinib resistance, Free energy, Salt bridges, Point mutation, Crystal structure, Molecular dynamics, Binding analysis, Tyrosine kinases, Electrostatic bonding, [INFO.INFO-BI]Computer Science [cs]/Bioinformatics [q-bio.QM], [SDV.BBM.BM]Life Sciences [q-bio]/Biochemistry, Molecular Biology/Molecular biology, [SDV.CAN]Life Sciences [q-bio]/Cancer

الاتاحة: https://hal.science/hal-01505869
https://hal.science/hal-01505869v1/document
https://hal.science/hal-01505869v1/file/journal.pone.0160165.PDF
https://doi.org/10.1371/journal.pone.0160165

المؤلفون: Soares, Rosemberg O., Torres, Pedro H.M., da Silva, Manuela L., Pascutti, Pedro G.

المساهمون: CNPq, CAPES

المصدر: Journal of Structural Biology ; volume 195, issue 2, page 216-226 ; ISSN 1047-8477

الاتاحة: http://dx.doi.org/10.1016/j.jsb.2016.06.006
https://api.elsevier.com/content/article/PII:S1047847716301125?httpAccept=text/xml
https://api.elsevier.com/content/article/PII:S1047847716301125?httpAccept=text/plain

المؤلفون: Soares, Rosemberg O., Torres, Pedro H.M., da Silva, Manuela L., Pascutti, Pedro G.

المساهمون: the Brazilian funding agencies CNPq, FAPERJ

المصدر: Data in Brief ; volume 8, page 1144-1150 ; ISSN 2352-3409

الاتاحة: http://dx.doi.org/10.1016/j.dib.2016.07.040
https://api.elsevier.com/content/article/PII:S2352340916304760?httpAccept=text/xml
https://api.elsevier.com/content/article/PII:S2352340916304760?httpAccept=text/plain

المؤلفون: Girard-Dias, Wendell, Augusto, Ingrid, Fernandes, Tácio V. A., Pascutti, Pedro G., de Souza, Wanderley, Miranda, Kildare

المصدر: Proceedings of the National Academy of Sciences of the United States of America; 4/18/2023, Vol. 120 Issue 16, Following p1-9, 15p

مصطلحات موضوعية: TRYPANOSOMA cruzi, SCANNING transmission electron microscopy, ION flow dynamics, ELECTRON microscope techniques, PEARSON correlation (Statistics)

المؤلفون: Costa, Mauricio GS, Batista, Paulo R, Shida, Cláudio S, Robert, Charles H, Bisch, Paulo M, Pascutti, Pedro G

Relation: http://www.biomedcentral.com/1471-2164-11-S5

الاتاحة: http://www.biomedcentral.com/1471-2164-11-S5

المؤلفون: Machado, Thamires R., Machado, Thayná R., Pascutti, Pedro G.

المصدر: ChemistrySelect ; volume 6, issue 23, page 5729-5742 ; ISSN 2365-6549 2365-6549

الاتاحة: http://dx.doi.org/10.1002/slct.202100406
https://onlinelibrary.wiley.com/doi/pdf/10.1002/slct.202100406
https://onlinelibrary.wiley.com/doi/full-xml/10.1002/slct.202100406

المؤلفون: Costa, Mauricio Gs, Benetti-Barbosa, Técio G, Desdouits, Nathan, Blondel, Arnaud, Bisch, Paulo M, Pascutti, Pedro G, Batista, Paulo R

المساهمون: Instituto de Biofísica Carlos Chagas Filho Rio de Janeiro (IBCCF / UFRJ), Universidade Federal do Rio de Janeiro Brasil = Federal University of Rio de Janeiro Brazil = Université fédérale de Rio de Janeiro Brésil (UFRJ), Program for Scientific Computing / Programa de Computação Científica Rio de Janeiro (PROCC), Fundação Oswaldo Cruz / Oswaldo Cruz Foundation (FIOCRUZ), Pasteur Network (Réseau International des Instituts Pasteur)-Pasteur Network (Réseau International des Instituts Pasteur), Bioinformatique structurale - Structural Bioinformatics, Institut Pasteur Paris (IP)-Centre National de la Recherche Scientifique (CNRS), TGBB, MGSC, PGP, PMB and PRB thank FAPERJ, CNPq and CAPES for financial support. ND was supported by an AXA Research Fund PhD fellowship.This article has been published as part of BMC Genomics Volume 15 Supplement 7, 2014: Proceedings of the 9th International Conference of the Brazilian Association for Bioinformatics and Computational Biology (X- Meeting 2013).

المصدر: ISSN: 1471-2164 ; BMC Genomics ; https://pasteur.hal.science/pasteur-01402879 ; BMC Genomics, 2014, 15 (Suppl 7), pp.S5. ⟨10.1186/1471-2164-15-S7-S5⟩.

مصطلحات موضوعية: MESH: Binding Sites/genetics, MESH: Computer Simulation, MESH: Protein Binding/genetics, MESH: Substrate Specificity/genetics, MESH: Viral Proteins/chemistry, MESH: Viral Proteins/metabolism, MESH: HIV Protease/chemistry, MESH: HIV Protease/genetics, MESH: HIV Protease/metabolism, MESH: HIV Protease Inhibitors/chemistry, MESH: HIV Protease Inhibitors/metabolism, MESH: Ligands, MESH: Molecular Dynamics Simulation, MESH: Polymorphism, Genetic, [SDV.BIBS]Life Sciences [q-bio]/Quantitative Methods [q-bio.QM]

Relation: info:eu-repo/semantics/altIdentifier/pmid/25573486; PUBMED: 25573486

الاتاحة: https://pasteur.hal.science/pasteur-01402879
https://pasteur.hal.science/pasteur-01402879v1/document
https://pasteur.hal.science/pasteur-01402879v1/file/158%20DESDOUITS%20-%20Pmid%2025573486.pdf
https://doi.org/10.1186/1471-2164-15-S7-S5

المؤلفون: 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

المساهمون: Lawson, Victoria

المصدر: PLoS ONE ; volume 9, issue 1, page e84531 ; ISSN 1932-6203

الاتاحة: http://dx.doi.org/10.1371/journal.pone.0084531
http://dx.plos.org/10.1371/journal.pone.0084531

المؤلفون: 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.

المساهمون: Raper, Jayne

المصدر: PLoS Neglected Tropical Diseases ; volume 8, issue 8, page e3077 ; ISSN 1935-2735

الاتاحة: http://dx.doi.org/10.1371/journal.pntd.0003077
http://dx.plos.org/10.1371/journal.pntd.0003077

المؤلفون: Basso, Luis G.M., Fernandes, Tácio V.A., Lima, José F., Crusca, Edson, Vicente, Eduardo F., Cilli, Eduardo M., Pascutti, Pedro G., Costa-Filho, Antonio J.

المصدر: Biophysical Journal ; volume 106, issue 2, page 295a ; ISSN 0006-3495

الاتاحة: http://dx.doi.org/10.1016/j.bpj.2013.11.1720
https://api.elsevier.com/content/article/PII:S0006349513029780?httpAccept=text/xml
https://api.elsevier.com/content/article/PII:S0006349513029780?httpAccept=text/plain

المؤلفون: Costa, Mauricio GS, Batista, Paulo R, Shida, Cláudio S, Robert, Charles H, Bisch, Paulo M, Pascutti, Pedro G

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::68319cacdf420337f72269da9d77af60

المؤلفون: Costa, Mauricio GS, Batista, Paulo R, Shida, Cláudio S, Robert, Charles H, Bisch, Paulo M, Pascutti, Pedro G

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0d174d7e61dc6e6fd4d8a5843aa44d84

المؤلفون: Costa, Mauricio GS, Batista, Paulo R, Shida, Cláudio S, Robert, Charles H, Bisch, Paulo M, Pascutti, Pedro G

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::60cbf11c9e98a5cbef37ab9aee40733f

المؤلفون: Costa, Mauricio GS, Batista, Paulo R, Shida, Cláudio S, Robert, Charles H, Bisch, Paulo M, Pascutti, Pedro G

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::178074eb0a89657cacec6c9ee24799df