Journal of Physical Chemistry B

Research outputs

  1. 2019
  2. Published

    Self-Assembly of Lipopeptides Containing Short Peptide Fragments Derived from the Gastrointestinal Hormone PYY3-36: From Micelles to Amyloid Fibrils

    Hutchinson, J. A., Hamley, I. W., Torras, J., Alemán, C., Seitsonen, J. & Ruokolainen, J., 24 Jan 2019, In : Journal of Physical Chemistry B. 123, 3, p. 614-621 8 p.

    Research output: Contribution to journalArticle

  3. Published

    Headgroup Structure and Cation Binding in Phosphatidylserine Lipid Bilayers

    Antila, H., Buslaev, P., Favela-Rosales, F., Ferreira, T. M., Gushchin, I., Javanainen, M., Kav, B., Madsen, J. J., Melcr, J., Miettinen, M. S. & 4 others, Määttä, J., Nencini, R., Ollila, O. H. S. & Piggot, T. J., 1 Jan 2019, In : Journal of Physical Chemistry B. 123, 43, p. 9066-9079

    Research output: Contribution to journalArticle

  4. 2018
  5. Published

    Flex ddG: Rosetta Ensemble-Based Estimation of Changes in Protein–Protein Binding Affinity upon Mutation

    Barlow, K., Conchuir, S., Thompson, S., Suresh, P., Lucas, J., Heinonen, M. & Kortemme, T., 31 May 2018, In : Journal of Physical Chemistry B. 122, 21, p. 5389-5399 11 p.

    Research output: Contribution to journalArticle

  6. Published

    Simulations Study of Single Component and Mixed n-Alkyl-PEG Micelles

    Vuorte, M., Määttä, J. & Sammalkorpi, M., Apr 2018, In : Journal of Physical Chemistry B. 122, 18, p. 4851 − 4860

    Research output: Contribution to journalArticle

  7. 2016
  8. Published

    Isomerism of Trimeric Aluminum Complexes in Aqueous Environments: Exploration via DFT-Based Metadynamics Simulation

    Lanzani, G., Seitsonen, A. P., Iannuzzi, M., Laasonen, K. & Pehkonen, S. O., 17 Nov 2016, In : Journal of Physical Chemistry B. 120, 45, p. 11800-11809 10 p.

    Research output: Contribution to journalArticle

  9. Published

    Role of Salt and Water in the Plasticization of PDAC/PSS Polyelectrolyte Assemblies

    Zhang, R., Zhang, Y., Antila, H., Lutkenhaus, J. L. & Sammalkorpi, M., 2016, In : Journal of Physical Chemistry B. 121, 1, p. 322-333

    Research output: Contribution to journalArticle

  10. 2015
  11. Published

    Controlling carbon-nanotube-phospholipid solubility by curvature dependent self-assembly

    Määttä, J., Vierros, S. & Sammalkorpi, M., Feb 2015, In : Journal of Physical Chemistry B. 119, 10, p. 4020-4032

    Research output: Contribution to journalArticle

  12. Published
  13. Published

    Ewald electrostatics for mixtures of point and continuous line charge

    Antila, H. S., Van Tassel, P. R. & Sammalkorpi, M., 2015, In : Journal of Physical Chemistry B. 119, 41, p. 13218-13226

    Research output: Contribution to journalArticle

  14. Published
  15. Published

    Rotation of the Orientation of the Wave Function Distribution of a Charged Particle and its Utilization

    Masuda, S. & Rice, S. A., 2015, In : Journal of Physical Chemistry B. 119, 34, p. 11079-11088

    Research output: Contribution to journalArticle

  16. Published

    Solubility of Cellulose in Supercritical Water Studied by Molecular Dynamics Simulations

    Tolonen, L. K., Bergenstråhle-Wohlert, M., Sixta, H. & Wohlert, J., 2015, In : Journal of Physical Chemistry B. 119, 13, p. 4739-4748

    Research output: Contribution to journalArticle

  17. Published

    Toward Atomistic Resolution Structure of Phosphatidylcholine Headgroup and Glycerol Backbone at Different Ambient Conditions

    Botan, A., Favela-Rosales, F., Fuchs, P. F. J., Javanainen, M., Kanduc, M., Kulig, W., Lamberg, A., Loison, C., Lyubartsev, A., Miettinen, M. S. & 7 others, Monticelli, L., Maatta, J., Ollila, O. H. S., Retegan, M., Rog, T., Santuz, H. & Tynkkynen, J., 2015, In : Journal of Physical Chemistry B. 119, 49, p. 15075-15088

    Research output: Contribution to journalArticle

  18. 2014
  19. Published

    Dehydroergosterol as an analogue for cholesterol: Why it mimics cholesterol so well-or does it?

    Pourmousa, M., Róg, T., Mikkeli, R., Vattulainen, I., Solanko, L. M., Wüstner, D., List, N. H., Kongsted, J. & Karttunen, M., 3 Jul 2014, In : Journal of Physical Chemistry B. 118, 26, p. 7345-7357 13 p.

    Research output: Contribution to journalArticle

  20. Published

    Ion transport through water - organic solvent liquid-liquid interface: a simulation study

    Holmberg, N., Sammalkorpi, M. & Laasonen, K., 2014, In : Journal of Physical Chemistry B. 118, 22, p. 5957-5970 14 p.

    Research output: Contribution to journalArticle

  21. Published

    Polyelectrolyte Decomplexation via Addition of Salt: Charge Correlation Driven Zipper

    Antila, H. S. & Sammalkorpi, M., 2014, In : Journal of Physical Chemistry B. 118, 11, p. 3226-3234 9 p.

    Research output: Contribution to journalArticle

  22. 2013
  23. Published

    Aggregation in Colloidal Suspensions: Evaluation of the Role of Hydrodynamic Interactions by Means of Numerical Simulations

    Tomilov, A., Videcoq, A., Cerbelaud, M., Piechowiak, M. A., Chartier, T., Ala-Nissilä, T., Bochicchio, D. & Ferrando, R., 2013, In : Journal of Physical Chemistry B. 117

    Research output: Contribution to journalArticle

  24. 2012
  25. Published

    The Soft-Confined Method for Creating Molecular Models of Amorphous Polymer Surfaces

    Liu, H., Li, Y., Krause, W. E., Rojas, O. J. & Pasquinelli, M. A., 9 Feb 2012, In : Journal of Physical Chemistry B. 116, 5, p. 1570-1578 9 p.

    Research output: Contribution to journalArticle

  26. Published

    Experimental and Computational Study of the Effect of Alcohols on the Solution and Adsorption Properties of a Nonionic Symmetric Triblock Copolymer

    Liu, X., He, F., Salas, C., Pasquinelli, M. A., Genzer, J. & Rojas, O. J., 2 Feb 2012, In : Journal of Physical Chemistry B. 116, 4, p. 1289-1298 10 p.

    Research output: Contribution to journalArticle

  27. Published

    Cationic dimyristoylphosphatidylcholine and dioleoyloxytrimethylammonium propane lipid bilayers: Atomistic insight for structure and dynamics

    Zhao, W., Gurtovenko, A. A., Vattulainen, I. & Karttunen, M., 12 Jan 2012, In : Journal of Physical Chemistry B. 116, 1, p. 269-276 8 p.

    Research output: Contribution to journalArticle

  28. Published

    Atomistic Simulations of Micellization of Sodium Hexyl, Heptyl, Octyl, and Nonyl Sulfates

    Sanders, S., Sammalkorpi, M. & Panagiotopoulos, A. Z., 2012, In : Journal of Physical Chemistry B. 116, 8, p. 2430-2437

    Research output: Contribution to journalArticle

  29. Published

    Mechanism of Taq DNA Polymerase Inhibition by Fullerene Derivatives: Insight from Computer Simulations

    Nedumpully Govindan, P., Monticelli, L. & Salonen, E., 2012, In : Journal of Physical Chemistry B. 116, p. 10676

    Research output: Contribution to journalArticle

  30. Published

    Molecular dynamics simulation of PEGylated bilayer interacting with salt ions: a model of the liposome surface in the bloodstream

    Magarkar, A., Karakas, E., Stepniewski, M., Róg, T. & Bunker, A., 2012, In : Journal of Physical Chemistry B. 116, 14, p. 4212-4219

    Research output: Contribution to journalArticle

  31. Published

    Molecular dynamics simulations of the bacterial ABC Transporter SAV1866

    St-Pierre, J-F., Bunker, A., Róg, T., Karttunen, M. & Mousseau, N., 2012, In : Journal of Physical Chemistry B. 116, 9, p. 2934-2942

    Research output: Contribution to journalArticle

  32. Published

    Study of Interaction Between PEG Carrier and Three Relevant Drug Molecules: Piroxicam, Paclitaxel, and Hematoporphyrin

    Li, Y-C., Rissanen, S., Stepniewski, M., Cramariuc, O., Róg, T., Mirza, S., Xhaard, H., Wytrwal, M., Kepczynski, M. & Bunker, A., 2012, In : Journal of Physical Chemistry B. 116, 116, p. 7734-7341

    Research output: Contribution to journalArticle

  33. 2011
  34. Published

    Effect of galactosylceramide on the dynamics of cholesterol-rich lipid membranes

    Hall, A., Róg, T. & Vattulainen, I., 15 Dec 2011, In : Journal of Physical Chemistry B. 115, 49, p. 14424-14434 11 p.

    Research output: Contribution to journalArticle

  35. Published

    A molecular dynamics approach for the association of apolipoproteinb-100 and chondroitin-6-sulfate

    Cilpa, G., Koivuniemi, A., Hyvönen, M. T. & Riekkola, M-L., 28 Apr 2011, In : Journal of Physical Chemistry B. 115, 16, p. 4818-4825 8 p.

    Research output: Contribution to journalArticle

  36. Published

    Analysis of twisting of cellulose nanofibrils in atomistic molecular dynamics simulations

    Paavilainen, S., Rog, T. & Vattulainen, I., 2011, In : Journal of Physical Chemistry B. 115, 14, p. 3747-3755

    Research output: Contribution to journalArticle

  37. Published

    Properties of the Membrane Binding Component of Catechol-O-methyltransferase Revealed by Atomistic Molecular Dynamics Simulations

    Orlowski, A., St-Pierre, J-F., Magarkar, A., Bunker, A., Pasenkiewicz-Gierula, M., Karttunen, M., Vattulainen, I. & Róg, T., 2011, In : Journal of Physical Chemistry B. 115, 46, p. 13541-13550

    Research output: Contribution to journalArticle

  38. Published

    Simulations of micellization of sodium hexyl sulfate

    Sammalkorpi, M., Sanders, S., Panagiotopoulos, A., Karttunen, M. & Haataja, M., 2011, In : Journal of Physical Chemistry B. 115, 6, p. 1403-1410

    Research output: Contribution to journalArticle

  39. 2010
  40. Published

    Computational approach for understanding the interactions of UV-degradable dendrons with DNA and siRNA

    Pavan, G. M., Kostiainen, M. A. & Danani, A., May 2010, In : Journal of Physical Chemistry B. 114, 17, p. 5686-5693 8 p.

    Research output: Contribution to journalArticle

  41. Published

    Effect of charge asymmetry on adsorption and phase separation of polyampholytes on silica and cellulose surfaces

    Song, J., Yamagushi, T., Silva, D. J., Hubbe, M. A. & Rojas, O. J., 2010, In : Journal of Physical Chemistry B. 114, 2, p. 719-727

    Research output: Contribution to journalArticle

  42. Published

    Effects of DPH on DPPC-cholesterol membranes with varying concentration of cholesterol: From local perturbations to limitations in fluorescence anisotropy experiments

    Franova, M., Repakova, J., Capkova, P., Holopainen, J. M. & Vattulainen, I., 2010, In : Journal of Physical Chemistry B. 114, p. 2704-2711

    Research output: Contribution to journalArticle

  43. Published

    Effects of the lipid bilayer phase state on the water membrane interface

    Bunker, A., Pasenkiewicz-Gierula, M., Stepniewski, M., Karttunen, M. & Róg, T., 2010, In : Journal of Physical Chemistry B. 114, 36, p. 11784-11792

    Research output: Contribution to journalArticle

  44. Published

    Molecular Dynamics Simulations Reveal Fundamental Role of Water As Factor Determining Affinity of Binding of ß-Blocker Nebivolol to ß2-Adrenergic Receptor

    Kaszuba, K., Rog, T., Bryl, K., Vattulainen, I. & Karttunen, M., 2010, In : Journal of Physical Chemistry B. 114, p. 8374-8386

    Research output: Contribution to journalArticle

  45. Published

    The role of glycolipids in lipid rafts: A view through atomistic molecular dynamics simulations with galactosylceramide

    Hall, A., Rog, T., Karttunen, M. & Vattulainen, I., 2010, In : Journal of Physical Chemistry B. 114, p. 7797-7807

    Research output: Contribution to journalArticle

  46. 2009
  47. Published

    In Situ Monitoring of Cellulase Activity by Microgravimetry with a Quartz Crystal Microbalance

    Hu, G., Heitmann, J. A. & Rojas, O. J., 2009, In : Journal of Physical Chemistry B. 113, 44, p. 14761-14768

    Research output: Contribution to journalArticle

  48. Published

    Intrinsic potential of cell membranes: Opposite effects of lipid transmembrane asymmetry and asymmetric salt ion distribution

    Gurtovenko, A. & Vattulainen, I., 2009, In : Journal of Physical Chemistry B. 113, p. 7194-7198

    Research output: Contribution to journalArticle

  49. Published

    Ion Dynamics in Cationic Lipid Bilayer Systems in Saline Solutions

    Miettinen, M., Gurtovenko, A. A., Vattulainen, I. & Karttunen, M., 2009, In : Journal of Physical Chemistry B. 113, p. 9226-9234

    Research output: Contribution to journalArticle

  50. Published
  51. Published

    Mitochondrial membranes with mono- and divalent salt: Changes induced by salt ions on structure and dynamics

    Pöyry, S., Rog, T., Karttunen, M. & Vattulainen, I., 2009, In : Journal of Physical Chemistry B. 113, p. 15513-15521

    Research output: Contribution to journalArticle

  52. Published

    Probing biomembranes with positrons

    Sane, P., Salonen, E., Falck, E., Repakova, J., Tuomisto, F., Holopainen, J. & Vattulainen, I., 2009, In : Journal of Physical Chemistry B. 113, 7, p. 1810-1812 3 p.

    Research output: Contribution to journalArticle

  53. Published

    Role of cardiolipins in the inner mitochondrial membrane - Insight gained through atom-scale simulations

    Rog, T., Martinez-Seara, H., Munck, N., Oresic, M., Karttunen, M. & Vattulainen, I., 2009, In : Journal of Physical Chemistry B. 113, p. 3413-3422

    Research output: Contribution to journalArticle

  54. Published

    The Factors Behind the Morphotropic Phase Boundary in Piezoelectric Perovskites

    Frantti, J., Fujioka, Y., Zhang, J., Vogel, S., Wang, Y., Zhao, Y. & Nieminen, R. M., 2009, In : Journal of Physical Chemistry B. 113, p. 7967-7972

    Research output: Contribution to journalArticle

  55. Published

    Why is the sn-2 chain of monounsaturated glycerophospholipids usually unsaturated whereas the sn-1 chain is saturated?Studies of SOPC and OSPC membranes with and without cholesterol

    Martinez-Seara, H., Rog, T., Karttunen, M., Vattulainen, I. & Reigada, R., 2009, In : Journal of Physical Chemistry B. 113, p. 8347-8356

    Research output: Contribution to journalArticle

  56. 2008
  57. Published
  58. Published

    Electronic energy band structure of the double perovskite Ba2MnWO6

    Fujioka, Y., Frantti, J. & Nieminen, R. M., 2008, In : Journal of Physical Chemistry B. 112, 22, p. 6742-6746

    Research output: Contribution to journalArticle

  59. Published

    Influence of Ethanol on Lipid Membranes: From Lateral Pressure Profiles to Dynamics and Partitioning

    Terama, E., Ollila, O. H. S., Salonen, E., Rowat, A., Trandum, C., Westh, P., Patra, M., Karttunen, M. & Vattulainen, I., 2008, In : Journal of Physical Chemistry B. 112, p. 4131-4139

    Research output: Contribution to journalArticle

  60. Published

    Membrane potential and electrostatics of phospholipid bilayers with asymmetric transmembrane distribution of anionic lipids

    Gurtovenko, A. A. & Vattulainen, I., 2008, In : Journal of Physical Chemistry B. 112, p. 4629-4634

    Research output: Contribution to journalArticle

  61. Published

    Modelling of the triglyceride-rich core in lipid droplets

    Hall, A., Repakova, J. & Vattulainen, I., 2008, In : Journal of Physical Chemistry B. 112, p. 13772-13782

    Research output: Contribution to journalArticle

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