Assessing staurosporine analogs conformational ensemble

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  • Presentation type: Apresentação de Pôster / Poster Communications
  • Track: Molecular Dynamics
  • Keywords: indolocarbazoles; molecular dynamics; conformation;

Authors:

  • 1 Universidade Federal do Rio Grande do Sul

Assessing staurosporine analogs conformational ensemble

Crisciele Fontana

Universidade Federal do Rio Grande do Sul

Abstract

STA-analogs flexibility are partially inaccessible to classical structural biology methods.

Molecular mechanics calculations offer tools to assess the conformational ensemble of STA-analogs.

Simulations of STA-analogs in biological solution showed multiple possible conformers.

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