Login / Signup

Structural insight into the role of Gln293Met mutation on the Peloruside A/Laulimalide association with αβ-tubulin from molecular dynamics simulations, binding free energy calculations and weak interactions analysis.

Matías A. ZúñigaJoel B. AldereteGonzalo A. JañaVerónica A. Jiménez
Published in: J. Comput. Aided Mol. Des. (2017)
Keyphrases
  • free energy
  • pairwise
  • active learning
  • upper bound
  • data collection