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Journal Article (4)

  1. Journal Article
    Heifetz, A.; James, T.; Southey, M.; Morao, I.; Aldeghi, M.; Sarrat, L.; Fedorov, D. G.; Bodkin, M. J.; Townsend-Nicholson, A.: Characterising GPCR-ligand interactions using a fragment molecular orbital-based approach. Current Opinion in Structural Biology 55, pp. 85 - 92 (2019)
  2. Journal Article
    Yee, A. W.; Aldeghi, M.; Blakeley, M. P.; Ostermann, A.; Mas, P. J.; Moulin, M.; de Sanctis, D.; Bowler, M. W.; Mueller-Dieckmann, C.; Mitchell, E. P. et al.; Haertlein, M.; de Groot, B. L.; Boeri Erba, E.; Forsyth, V. T.: A molecular mechanism for transthyretin amyloidogenesis. Nature Communications 10 (1) (2019)
  3. Journal Article
    Aldeghi, M.; Gapsys, V.; de Groot, B. L.: Predicting kinase inhibitor resistance: Physics-based and data-driven approaches. ACS Central Science 5 (8), pp. 1468 - 1474 (2019)
  4. Journal Article
    Aldeghi, M.; Gapsys, V.; de Groot, B. L.: Accurate estimation of ligand binding affinity changes upon protein mutation. ACS Central Science 4 (12), pp. 1708 - 1718 (2018)

Book Chapter (1)

  1. Book Chapter
    Aldeghi, M.; de Groot, B. L.; Gapsys, V.: Accurate calculation of free energy changes upon amino acid mutation. In: Computational Methods in Protein Evolution, pp. 19 - 47 (Ed. Sikosek, T.). Springer Nature, New York (2019)
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