November 18, 2016


  1. Jin, R.; Maibaum, L. Mechanisms of DNA Hybridization: Transition Path Analysis of a Simulation-Informed Markov Model. Journal of Chemical Physics 2019, 150, 105103. DOI: 10.1063/1.5054593. Preprint available at arXiv:1807.04258
  2. Kingsland, A.; Maibaum, L. DNA Base Pair Mismatches Induce Structural Changes and Alter the Free Energy Landscape of Base Flip. Journal of Physical Chemistry B 2018, 122, 12251. DOI: 10.1021/acs.jpcb.8b06007. Preprint available at arXiv:1803.02027
  3. Leeb, F.; Maibaum, L. Spatially Resolving the Condensing Effect of Cholesterol in Lipid Bilayers. Biophysical Journal, 2018, 115, 2179. DOI: 10.1016/j.bpj.2018.10.024. Featured on the BPS Blog.
  4. Luo, Y.; Maibaum, L. Phase Diagrams of Multicomponent Lipid Vesicles: Effects of Finite Size and Spherical Geometry. Journal of Chemical Physics 2018, 149, 174901. DOI: 10.1063/1.5045499. Preprint available at arXiv:1806.08013
  5. Luo, Y.; Maibaum, L. Relating the structure factors of two-dimensional materials in planar and spherical geometries. Soft Matter 2018, 14, 5686. DOI: 10.1039/c8sm00978c Preprint available at arXiv:1805.04835
  6. He, S.; Maibaum, L. Identifying the Onset of Phase Separation in Quaternary Lipid Bilayer Systems from Coarse-Grained Simulations. Journal of Physical Chemistry B 2018, 122 (14), 3961. DOI: 10.1021/acs.jpcb.8b00364 Preprint available at arXiv:1801.05495
  7. Pokhrel, N.; Maibaum, L. Free Energy Calculations of Membrane Permeation: Challenges due to Strong Headgroup-Solute Interactions. Journal of Chemical Theory and Computation 2018, 14 (3), 1762. DOI: 10.1021/acs.jctc.7b01159
  8. Sapp, K.; Maibaum, L. Suppressing membrane height fluctuations leads to a membrane-mediated interaction among proteins. Physical Review E 2016, 94, 052414. DOI: 10.1103/PhysRevE.94.052414
  9. Kingsland, A.; Samai, S.; Yan, Y.; Ginger, D. S.; Maibaum, L. Local Density Fluctuations Predict Photoisomerization Quantum Yield of Azobenzene-Modified DNA. Journal of Physical Chemistry Letters 2016, 7 (15), 3027. DOI: 10.1021/acs.jpclett.6b00956
  10. Sapp, K.; Shlomovitz, R.; Maibaum, L. Seeing the Forest in lieu of the Trees: Continuum Simulations of Cell Membranes at Large Length Scales. Annual Reports in Computational Chemistry 2014, 10, 47. DOI: 10.1016/B978-0-444-63378-1.00003-3 PMCID: PMC4567254
  11. Shlomovitz, R.; Maibaum, L.; Schick, M. Macroscopic Phase Separation, Modulated Phases, and Microemulsions: A Unified Picture of Rafts. Biophysical Journal 2014, 106 (9), 1979. DOI: 10.1016/j.bpj.2014.03.017
    Highlighted in “New and Notable” companion article.
  12. Gu, C.; Chang, H. W.; Maibaum, L.; Pande, V. S.; Carlsson, G. E.; Guibas, L. J. Building Markov state models with solvent dynamics. BMC Bioinformatics 2013, 14, S8. DOI: 10.1186/1471-2105-14-S2-S8
  13. Beauchamp, K. A.; Bowman, G. R.; Lane, T. J.; Maibaum, L.; Haque, I. S.; Pande, V. S. MSMBuilder2: Modeling Conformational Dynamics on the Picosecond to Millisecond Scale. J. Chem. Theory Comput. 2011, 7 (10), 3412. DOI: 10.1021/ct200463m
  14. Pasqua, A.; Maibaum, L.; Oster, G.; Fletcher, D. A.; Geissler, P. L. (these authors contributed equally) Large–scale Simulations of Biological Membranes. J. Chem. Phys. 2010, 132, 154107. DOI: 10.1063/1.3382349
  15. Maibaum, L. Phase Transformation Near the Classical Limit of Stability. Phys. Rev. Lett. 2008, 101, 256102. DOI: 10.1103/PhysRevLett.101.256102
  16. Liu, A. P.; Richmond, D. L.; Maibaum, L.; Pronk, S.; Geissler, P. L.; Fletcher, D. A. Membrane-induced Bundling of Actin Filaments. Nature Phys. 2008, 4, 789. DOI: 10.1038/nphys1071
  17. Maibaum, L. Comment on “Elucidating the Mechanism of Nucleation Near the Gas-liquid Spinodal.” Phys. Rev. Lett. 2008, 101, 019601. DOI: 10.1103/PhysRevLett.101.019601
  18. Hedges, L. O.; Maibaum, L.; Chandler, D.; Garrahan, J. P. Decoupling of exchange and persistence times in atomistic models of glass formers. J. Chem. Phys. 2007, 127, 211101. DOI: 10.1063/1.2803062
  19. Maibaum, L.; Chandler, D. Segue between Favorable and Unfavorable Solvation. J. Phys. Chem. B 2007, 111, 9025. DOI: 10.1021/jp072266z
  20. Chandler, D.; Garrahan, J. P.; Jack, R. L.; Maibaum, L.; Pan, A. C. Lengthscale dependence of dynamic four-point susceptibilities in glass formers. Phys. Rev. E 2006, 74, 051501. DOI: 10.1103/PhysRevE.74.051501
  21. Maibaum, L.; Dinner, A. R.; Chandler, D. Micelle Formation and the Hydrophobic Effect. J. Phys. Chem. B 2004, 108, 6778. DOI: 10.1021/jp037487t
  22. Maibaum, L.; Chandler, D. A coarse-grained model of water confined in a hydrophobic tube. J. Phys. Chem. B 2003, 107, 1189. DOI: 10.1021/jp0267196
  23. Maibaum, L.; Schmidt, M.; Löwen, H. Colloids confined to a flexible container. Phys. Rev. E 2001, 63, 051401. DOI: 10.1103/PhysRevE.63.051401