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A Practical Introduction to Martini 3 and its Application to Protein-Ligand Binding Simulations

  • Alessandri R
  • Thallmair S
  • Herrero C
  • et al.
AIP Publishing LLCMelville, New York, (2023), 1-1-1-34
DOI: 10.1063/9780735425279_001
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Abstract

Martini 3 is the new version of a widely used coarse-grained (CG) model that have been extensively parameterized to reproduce experimental and thermodynamic data. Based on a building-block approach...

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Alessandri, R., Thallmair, S., Herrero, C. G., Mera-Adasme, R., Marrink, S. J., & Souza, P. C. T. (2023). A Practical Introduction to Martini 3 and its Application to Protein-Ligand Binding Simulations. In A Practical Guide to Recent Advances in Multiscale Modeling and Simulation of Biomolecules (pp. 1-1-1–34). AIP Publishing LLCMelville, New York. https://doi.org/10.1063/9780735425279_001

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