Refereed Articles

  1. Baker, S. L., Munasinghe, A., Kaupbayeva, B., Kang, N. R., Certiat, M., Murata, H., Matyjaszewski, K., Lin, P., Colina, C. M., Russell, A. J., “Transforming protein-polymer conjugate purification by tuning protein solubility” Nat. Commun., 2019, 10, 4718. [doi]
  2. Tang, D., Kupgan, G., Colina, C. M., Sholl, D. S., “Rapid Prediction of Adsorption Isotherms of a Diverse Range of Molecules in Hyper-Crosslinked Polymers” J. Phys. Chem. C, 2019, 123(29), 17884-17893. [doi]
  3. Rukmani, S. J., Lin, P., Andrew, J. S., Colina, C. M., “Molecular Modeling of Complex Cross-Linked Networks of PEGDA Nanogels” J. Phys. Chem. B, 2019, 132(18), 4129-4138. [doi]
  4. Lin, P., Colina, C. M., “Molecular simulation of protein-polymer conjugates” Current opinion in Chemical Engineering, 2019. 23, 44-50. [doi]
  5. Munasinghe, A., Mathavan, A., Mathavan, A., Lin, P., Colina, C. M., “Molecular insight into the protein-polymer interactions in N-terminal PEGylated Bovine Serum Albumin” J. Phys. Chem. B, 2019[doi]
  6. Rukmani, S. J., Kupgan, G., Anstine, D. M., Colina, C. M., “A molecular dynamics study of water-soluble polymers: analysis of force fields from atomistic simulations” Molecular Simulation2018 [doi]
  7. Ramezanghorbani, F., Lin, P., Colina, C. M., “Optimizing Protein-Polymer Interactions in a Poly(ethylene glycol) Coarse-Grained Model.” J. Phys. Chem. B2018, 122(33), 7997-8005. [doi]
  8. Baker, S., Munasinghe, A., Murata, H., Lin, P., Matyjaszewski, K., Colina, C. M., Russel, A. J., “Intramolecular interactions of conjugated polymers mimic molecular chaperones to stabilize protein-polymer conjugates” Biomacromolecules, 2018, 19(9), 3798-3813. [doi]
  9. Kupgan, G., Demidov, A. G., Colina, C. M., “Plasticization Behavior in Polymers of Intrinsic Microporosity (PIM-1): a Simulation Study from Combined Monte Carlo and Molecular Dynamics” J. Membrane Sci., 2018, 565, 95-103.[doi]
  10. Russel, A. J., Baker, S., Colina, C. M., Figg, C. A., Kaar, J. L., Matyjaszewski, K. Simakova, A., Summerlin, B. S., “Next generation protein-polymer conjugates” AIChE Journal, 2018, 64(9), 3230-3245.[doi]
  11. Alzate, L., Fortunato, M. E., Haley, B. P., Li, C., Colina, C. M., Strachan, A., “Uncertainties on predictions of thermo-physical properties of thermoplastic polymers via molecular dynamics” Modelling Simul. Mater. Sci. Eng., 2018, 26, 065007.[doi]
  12. Ruckmani, S. J., Liyana-Arachchi, T. P., Hart, K. E., Colina, C. M., “Ionic-Fictionalized Polymers of Intrinsic Microporosity for Gas Separation Applications” Langmuir, 2018, 34(13), 3949-3960.[doi]
  13. Kupgan, G., Abbott, L. J., Hart, K. E., Colina, C. M., “Modeling Amorphous Microporous Polymers for CO2 Capture and Separations,” Chem. Rev., 2018, 118(11), 5488-5538.[doi]
  14. Bezzu, C. G., Carta, M., Ferrari, M.-C., Jansen, J. C., Monteleone, M., Esposito, E., Fuoco, A., Hart, K., Liyana-Arachchi, T. P., Colina, C. M., McKeown, N. B., “The synthesis, chain-packing simulation and long-term gas permeability of highly selective spirobifluorene-based polymers of intrinsic microporosity.”, J. Mater. Chem. A, 2018, 6, 10507-10514.[doi]
  15. Demidov, A. G., Fortunato, M. E., Colina, C. M., “Update 0.2 to ‘pysimm: A Python package for simulation of molecular systems’.”, SoftwareX, 2018, 7, 70-73. [doi]
  16. Goethe, E. V., Colina, C. M., “Taking Advantage of Diversity within the Classroom”, J. Chem. Educ. 2018, 95(2), 189-192.[doi]
  17. Fortunato, M. E., Mattson, J., Taylor, D., Larentzos, J.P., Brennan, J.K., “Pre- and Post-Processing Tools to Create and Characterize Particle-Based Composite Model Structures”, ARL Technical Report, ARL-TR-8213, 2017
  18. Munasinghe, A., Lin, P., Colina, C. M., “Unraveling Binding Interactions between Human RANKL and Its Decoy Receptor Osteoprotegerin.” J. Phys. Chem. B, 2017, 121(39), 9141-9148.[doi]
  19. Kupgan, G., Liyana-Arachchi, T. P., Colina, C. M., “NLDFT Pore Size Distribution in Amorphous Microporous Material.” Langmuir, 2017, 33(42), 11138-11145.[doi]
  20. Rose, I., Bezzu, C. G., Carta, M., Comesaña-Gándara, B., Lasseuguette, E., Ferrari, M. C., Clarizia, G., Fuoco, A., Jansen, J. C., Hart, K. E., Liyana-Arachchi, T. P., Colina, C. M., McKeown, N. B., “Polymer ultrapermeability from the inefficient packing of 2D chains” Nature Materials, 2017, 16. 932-937.[doi]
  21. Hart, K.E., Colina, C. M., “Correction to “Ionomers of Intrinsic Microporosity: In Silico Development of Ionic-Functionalized Gas-Separation Membranes”” Langmuir, 2017, 33(24), 6203-6203.[doi]
  22. Zbyšek, P., Svoboda, M., Lísal, M., Colina, C. M., “Flow and aggregation of rod-like proteins in slit and cylindrical pores coated with polymer brushes: an insight from dissipative particle dynamics” Soft Matter, 2017,13 ,1634-1645.[doi]
  23. Fortunato, M.E., Colina, C. M., “pysimm: A python package for simulation of molecular systems,” SoftwareX, 2017, 6, 7-12. [doi]
  24. Liyana-Arachchi, T. P., Sturnfield, J. F., Colina, C. M., “Ultrathin Molecular-Layer-by-Layer Polyamide Membranes: Insights from Atomistic Molecular Simulations,” J. Phys. Chem. B, 2016,120 (35), 9484–9494. [doi]
  25. Kupgan, G., Liyana-Arachchi, T. P., Colina, C. M., “Pore size tuning of poly(styrene-co-vinylbenzyl chloride-co-divinylbenzene) hypercrosslinked polymers: Insights from molecular simulations,” Polymer, 2016, 99, 173-184. [doi]