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Representative references

  • M. Fossépré, L. Leherte, A. Laaksonen, and D.P. Vercauteren, Multiscale Design of Coarse-Grained Elastic Network-Based Potentials for the m Opioid Receptor, J. Mol. Model. 22, 227(20) (2016).

  • L. Leherte, A. Petit, D. Jacquemin, D.P. Vercauteren, and A.D. Laurent, Investigating Cyclic Peptides Inhibiting CD2-CD58 Interactions through Molecular Dynamics and Molecular Docking Methods, J. Comput. Aid. Mol. Des. 32, 1295-1313 (2018).

  • A.A. Rybakov, I.A. Bryukhanov, S. Todorova, A.V. Larin, D.P. Vercauteren, and G.M. Zhidomirov, Influence of Oxide Support on Pd Properties: a Gain for O Diffusion versus Minor Impact on CH4 Dissociation, Catal. Today, accepted for publication.