New Binding Site Conformations of the Dengue Virus NS3 Protease Accessed by Molecular Dynamics Simulation

Open Access

Peer-reviewed

Research Article

Hugo de Almeida,

Affiliation Laboratório de Interação Patógeno-Hospedeiro, Departamento de Biologia Celular, Universidade de Brasília, Brasília, Brasília, Brazil
⨯
Izabela M. D. Bastos,

Affiliation Laboratório de Interação Patógeno-Hospedeiro, Departamento de Biologia Celular, Universidade de Brasília, Brasília, Brasília, Brazil
⨯
Bergmann M. Ribeiro,

Affiliation Laboratório de Microscopia Eletrônica e Virologia, Departamento de Biologia Celular, Universidade de Brasília, Brasília, Brasília, Brazil
⨯
Bernard Maigret,

Affiliation LORIA/UMR 7503, Équipe-projet Orpailleur, Nancy Université, Campus Scientifique, Vandœuvre-lès-Nancy, France
⨯
Jaime M. Santana

* E-mail: jsantana@unb.br

Affiliation Laboratório de Interação Patógeno-Hospedeiro, Departamento de Biologia Celular, Universidade de Brasília, Brasília, Brasília, Brazil
⨯

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Dengue virus
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Proteases
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Biochemical simulations
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West Nile virus
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Molecular dynamics
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Drug interactions
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Protein structure comparison
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Protein structure databases
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