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Results: 57
Number of items: 57
  • Open Access
    Coveney, P. V., & Highfield, R. (2024). Artificial Intelligence Must Be Made More Scientific. Journal of Chemical Information and Modeling, 64(15), 5739-5741. https://doi.org/10.1021/acs.jcim.4c01091
  • Ahmad, K., Javed, A., Lanphere, C., Coveney, P. V., Orlova, E. V., & Howorka, S. (2023, May 24). Six DNA Helix Bundle nanopore - State 1 [Data set]. Protein Data Bank (PDB). https://doi.org/10.2210/pdb7YWH/pdb
  • Ahmad, K., Javed, A., Lanphere, C., Coveney, P. V., Orlova, E. V., & Howorka, S. (2023, May 24). Six DNA duplex bundle nanopore - State 2 [Data set]. Protein Data Bank (PDB). https://doi.org/10.2210/pdb7YWI/pdb
  • Ahmad, K., Javed, A., Lanphere, C., Coveney, P. V., Orlova, E. V., & Howorka, S. (2023, May 24). Six DNA Helix Bundle nanopore - State 3 [Data set]. Protein Data Bank (PDB). https://doi.org/10.2210/pdb7YWL/pdb
  • Ahmad, K., Javed, A., Lanphere, C., Coveney, P. V., Orlova, E. V., & Howorka, S. (2023, May 24). Six DNA Helix Bundle nanopore - State 4 [Data set]. Protein Data Bank (PDB). https://doi.org/10.2210/pdb7YWN/pdb
  • Ahmad, K., Javed, A., Lanphere, C., Coveney, P. V., Orlova, E. V., & Howorka, S. (2023, May 24). Six DNA Helix Bundle nanopore - State 5 [Data set]. Protein Data Bank (PDB). https://doi.org/10.2210/pdb7YWO/pdb
  • Open Access
    Ahmad, K., Javed, A., Lanphere, C., Coveney, P. V., Orlova, E. V., & Howorka, S. (2023). Structure and dynamics of an archetypal DNA nanoarchitecture revealed via cryo-EM and molecular dynamics simulations. Nature Communications, 14, Article 3630. https://doi.org/10.1038/s41467-023-38681-5
  • Open Access
    Bieniek, M. K., Wade, A. D., Bhati, A. P., Wan, S., & Coveney, P. V. (2023). TIES 2.0: A dual-topology open source relative binding free energy builder with web portal. Journal of Chemical Information and Modeling, 63(3), 718-724. https://doi.org/10.1021/ACS.JCIM.2C01596
  • Open Access
    Wan, S., Bhati, A. P., & Coveney, P. V. (2023). Comparison of Equilibrium and Nonequilibrium Approaches for Relative Binding Free Energy Predictions. Journal of Chemical Theory and Computation, 19(21), 7846-7860. https://doi.org/10.1021/ACS.JCTC.3C00842
  • Open Access
    McCullough, J. W. S., & Coveney, P. V. (2023). High resolution simulation of basilar artery infarct and flow within the circle of Willis. Scientific Reports, 13, Article 21665. https://doi.org/10.1038/s41598-023-48776-0
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