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Computational design of candidate multi-epitope vaccine against SARS-CoV-2 targeting structural (S and N) and non-structural (NSP3 and NSP12) proteins
Computational design of candidate multi-epitope vaccine against SARS-CoV-2 targeting structural (S and N) and non-structural (NSP3 and NSP12) proteins
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Computational design of candidate multi-epitope vaccine against SARS-CoV-2 targeting structural (S and N) and non-structural (NSP3 and NSP12) proteins

Ali, Zeeshan ; Cardoza, Jyothsna Volisha ; Basak, Srijita ; Narsaria, Utkarsh ; Singh, Vijay Pratap ; Isaac, Samuel Paul ; França, Tanos C. C. ; LaPlante, Steven R. ; George, Sudhan S.

Journal of biomolecular structure & dynamics, 2023-12, Vol.41 (22), p.13348-13367 [Periódico revisado por pares]

England: Taylor & Francis

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2
Identification of novel potential ricin inhibitors by virtual screening, molecular docking, molecular dynamics and MM-PBSA calculations: a drug repurposing approach
Identification of novel potential ricin inhibitors by virtual screening, molecular docking, molecular dynamics and MM-PBSA calculations: a drug repurposing approach
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Identification of novel potential ricin inhibitors by virtual screening, molecular docking, molecular dynamics and MM-PBSA calculations: a drug repurposing approach

Botelho, Fernanda D. ; Santos, Marcelo C. ; Gonçalves, Arlan S. ; França, Tanos C. C. ; LaPlante, Steven R. ; de Almeida, Joyce S. F. D.

Journal of biomolecular structure & dynamics, 2022-08, Vol.40 (12), p.5309-5319 [Periódico revisado por pares]

England: Taylor & Francis

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3
Molecular modeling and in vitro reactivation study between the oxime BI-6 and acetylcholinesterase inhibited by different nerve agents
Molecular modeling and in vitro reactivation study between the oxime BI-6 and acetylcholinesterase inhibited by different nerve agents
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Molecular modeling and in vitro reactivation study between the oxime BI-6 and acetylcholinesterase inhibited by different nerve agents

Giacoppo, Juliana O.S. ; C.C. França, Tanos ; Kuča, Kamil ; Cunha, Elaine F.F. da ; Abagyan, Ruben ; Mancini, Daiana T. ; Ramalho, Teodorico C.

Journal of biomolecular structure & dynamics, 2015-09, Vol.33 (9), p.2048-2058 [Periódico revisado por pares]

England: Taylor & Francis

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4
Design, synthesis, molecular modeling and neuroprotective effects of a new framework of cholinesterase inhibitors for Alzheimer's disease
Design, synthesis, molecular modeling and neuroprotective effects of a new framework of cholinesterase inhibitors for Alzheimer's disease
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Design, synthesis, molecular modeling and neuroprotective effects of a new framework of cholinesterase inhibitors for Alzheimer's disease

Zanon, Vanessa S. ; Lima, Josélia A. ; Amaral, Rackele F. ; Lima, Flavia R. S. ; Kitagawa, Daniel A. S. ; França, Tanos C. C. ; Vargas, Maria D.

Journal of biomolecular structure & dynamics, 2021-11, Vol.39 (16), p.6112-6125 [Periódico revisado por pares]

Taylor & Francis

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5
Molecular modeling studies on the interactions of aflatoxin B1 and its metabolites with the peripheral anionic site of human acetylcholinesterase
Molecular modeling studies on the interactions of aflatoxin B1 and its metabolites with the peripheral anionic site of human acetylcholinesterase
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Molecular modeling studies on the interactions of aflatoxin B1 and its metabolites with the peripheral anionic site of human acetylcholinesterase

de Almeida, Joyce S. F. D. ; Cavalcante, Samir F. A. ; Dolezal, Rafael ; Kuca, Kamil ; Musilek, Kamil ; Jun, Daniel ; França, Tanos C. C.

Journal of biomolecular structure & dynamics, 2019-05, Vol.37 (8), p.2041-2048 [Periódico revisado por pares]

England: Taylor & Francis

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6
Docking and molecular dynamics studies of peripheral site ligand-oximes as reactivators of sarin-inhibited human acetylcholinesterase
Docking and molecular dynamics studies of peripheral site ligand-oximes as reactivators of sarin-inhibited human acetylcholinesterase
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Docking and molecular dynamics studies of peripheral site ligand-oximes as reactivators of sarin-inhibited human acetylcholinesterase

de Almeida, Joyce S. F. D. ; Cuya Guizado, Teobaldo R. ; Guimarães, Ana P. ; Ramalho, Teodorico C. ; Gonçalves, Arlan S. ; de Koning, Martijn C. ; França, Tanos C. C.

Journal of biomolecular structure & dynamics, 2016-12, Vol.34 (12), p.2632-2642 [Periódico revisado por pares]

England: Taylor & Francis

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7
Design of New Chemotherapeutics Against the Deadly Anthrax Disease. Docking and Molecular Dynamics studies of Inhibitors Containing Pyrrolidine and Riboamidrazone Rings on Nucleoside Hydrolase from Bacillus anthracis
Design of New Chemotherapeutics Against the Deadly Anthrax Disease. Docking and Molecular Dynamics studies of Inhibitors Containing Pyrrolidine and Riboamidrazone Rings on Nucleoside Hydrolase from Bacillus anthracis
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Design of New Chemotherapeutics Against the Deadly Anthrax Disease. Docking and Molecular Dynamics studies of Inhibitors Containing Pyrrolidine and Riboamidrazone Rings on Nucleoside Hydrolase from Bacillus anthracis

Guimarães, Ana P. ; Oliveira, Aline A. ; da Cunha, Elaine F. F. ; Ramalho, Teodorico C. ; França, Tanos C. C.

Journal of biomolecular structure & dynamics, 2011-02, Vol.28 (4), p.455-469 [Periódico revisado por pares]

England: Taylor & Francis Group

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8
Virtual screening and molecular dynamic study of potential new binders to mTOR
Virtual screening and molecular dynamic study of potential new binders to mTOR
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Virtual screening and molecular dynamic study of potential new binders to mTOR

Botelho, Fernanda D. ; Nepovimova, Eugenie ; Kamil, Kuca ; Franca, Tanos C. C.

Journal of molecular modeling, 2022-10, Vol.28 (10), p.315-315, Article 315 [Periódico revisado por pares]

Berlin/Heidelberg: Springer Berlin Heidelberg

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9
The role of the oximes HI-6 and HS-6 inside human acetylcholinesterase inhibited with nerve agents: a computational study
The role of the oximes HI-6 and HS-6 inside human acetylcholinesterase inhibited with nerve agents: a computational study
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The role of the oximes HI-6 and HS-6 inside human acetylcholinesterase inhibited with nerve agents: a computational study

Cuya, Teobaldo ; Gonçalves, Arlan da Silva ; da Silva, Jorge Alberto Valle ; Ramalho, Teodorico C. ; Kuca, Kamil ; C.C. França, Tanos

Journal of biomolecular structure & dynamics, 2018-10, Vol.36 (13), p.3444-3452 [Periódico revisado por pares]

England: Taylor & Francis

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10
Molecular modeling study of natural products as potential bioactive compounds against SARS-CoV-2
Molecular modeling study of natural products as potential bioactive compounds against SARS-CoV-2
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Molecular modeling study of natural products as potential bioactive compounds against SARS-CoV-2

Ribeiro, Rayssa ; Botelho, Fernanda D. ; Pinto, Amanda M. V. ; La Torre, Antonia M. A. ; Almeida, Joyce S. F. D. ; LaPlante, Steven R. ; Franca, Tanos C. C. ; Veiga-Junior, Valdir F. ; dos Santos, Marcelo C.

Journal of molecular modeling, 2023-06, Vol.29 (6), p.183-183, Article 183 [Periódico revisado por pares]

Berlin/Heidelberg: Springer Berlin Heidelberg

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