Hotspot conservation across open/closed protein pairs: early steps towards successful docking studies with APO structures.

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Details
  • Presentation type: Exposição de Pôster
  • Track: Química Medicinal - MED
  • Keywords: Conformational selection; FTMap; hotspots; Virtual Screening;

Authors:

  • 1 Universidade Federal da Bahia
  • 2 Universidade Federal da Bahia, Faculdade de Fármacia, Departamento de Medicamentos

Hotspot conservation across open/closed protein pairs: early steps towards successful docking studies with APO structures.

Kleiton Luís de Oliveira Souza

Universidade Federal da Bahia, Faculdade de Fármacia, Departamento de Medicamentos

Abstract

Druggable sites are more conserved than consensus sites during the transition from APO to HOLO. The conservation of druggable sites can assist in the selection of APO proteins for molecular docking.

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