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Impact of different protonation states on virtual screening performance against cruzain

Viviane Corrêa Santos1, Augusto César Broilo Campos1, Birgit J Waldner2

  • 1Laboratório de Modelagem Molecular e Planejamento de Fármacos, Departamento de Bioquímica e Imunologia, Instituto de Ciências Biológicas, Universidade Federal de Minas Gerais, Belo Horizonte, Brazil.

Chemical Biology & Drug Design
|December 19, 2021
PubMed

Keywords:
chargecruzaindockingprotonation statesvirtual screening

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