Journal of Chemical Theory and Computation, 1549-9618

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Related Publications
  1. Coupling Coarse-Grained to Fine-Grained Models via Hamiltonian Replica Exchange

    Liu, Y., Pezeshkian, W., Barnoud, J., De Vries, A. H. & Marrink, S. J., 2020, In : Journal of Chemical Theory and Computation. 16, 8, p. 5313-5322 10 p., acs.jctc.0c00429.

    Research output: Contribution to journalArticleAcademicpeer-review

  2. Improved Cation Binding to Lipid Bilayers with Negatively Charged POPS by Effective Inclusion of Electronic Polarization

    Melcr, J., Ferreira, T. M., Jungwirth, P. & Ollila, O. H. S., Jan-2020, In : Journal of Chemical Theory and Computation. 16, 1, p. 738-748 11 p.

    Research output: Contribution to journalArticleAcademicpeer-review

  3. Reduced Common Molecular Orbital Basis for Nonorthogonal Configuration Interaction

    Kathir, R. K., de Graaf, C., Broer, R. & Havenith, R. W. A., 12-May-2020, In : Journal of Chemical Theory and Computation. 16, 5, p. 2941-2951 11 p.

    Research output: Contribution to journalArticleAcademicpeer-review

  4. Capturing Choline–Aromatics Cation−π Interactions in the MARTINI Force Field

    Khan, H. M., Telles de Souza, P. C., Thallmair, S., Barnoud, J., De Vries, A. H., Marrink, S. J. & Reuter, N., May-2020, In : Journal of Chemical Theory and Computation. 16, 4, p. 2550-2560 11 p.

    Research output: Contribution to journalArticleAcademicpeer-review

  5. Faster Simulations with a 5 fs Time Step for Lipids in the CHARMM Force Field

    Olesen, K., Awasthi, N., Bruhn, D. S., Pezeshkian, W. & Khandelia, H., Jun-2018, In : Journal of Chemical Theory and Computation. 14, 6, p. 3342-3350 9 p.

    Research output: Contribution to journalArticleAcademicpeer-review

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