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 journalArticleScientificpeer-review

  3. 2018
  4. 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 journalArticleScientificpeer-review

  5. 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 journalArticleScientificpeer-review

  6. 2016
  7. 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 journalArticleScientificpeer-review

  8. 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 journalArticleScientificpeer-review

  9. 2015
  10. 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 journalArticleScientificpeer-review

  11. Published

    Effect of Molecular Architecture of PDMAEMA-POEGMA Random and Block Copolymers on Their Adsorption on Regenerated and Anionic Nanocelluloses and Evidence of Interfacial Water Expulsion

    Vuoriluoto, M., Orelma, H., Johansson, L-S., Zhu, B., Poutanen, M., Walther, A., Laine, J. & Rojas, O. J., 2015, In : Journal of Physical Chemistry B. 119, 49, p. 15275-15286 12 p.

    Research output: Contribution to journalArticleScientificpeer-review

  12. 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 journalArticleScientificpeer-review

  13. Published

    Pick-off Annihilation of Positronium in Matter Using Full Correlation Single Particle Potentials: Solid He

    Zubiaga, A., Tuomisto, F. & Puska, M. J., 2015, In : Journal of Physical Chemistry B. 119, 4, p. 1747-1755 9 p.

    Research output: Contribution to journalArticleScientificpeer-review

  14. 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 journalArticleScientificpeer-review

  15. 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 journalArticleScientificpeer-review

  16. 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 othersMonticelli, 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 journalArticleScientificpeer-review

  17. 2014
  18. 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 journalArticleScientificpeer-review

  19. 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 journalArticleScientificpeer-review

  20. 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 journalArticleScientificpeer-review

  21. 2013
  22. 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 journalArticleScientificpeer-review

  23. 2012
  24. 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 journalArticleScientificpeer-review

  25. 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 journalArticleScientificpeer-review

  26. 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 journalArticleScientificpeer-review

  27. 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 journalArticleScientificpeer-review

  28. 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 journalArticleScientificpeer-review

  29. 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 journalArticleScientificpeer-review

  30. 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 journalArticleScientificpeer-review

  31. 2011
  32. 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 journalArticleScientificpeer-review

  33. 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 journalArticleScientificpeer-review

  34. 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 journalArticleScientificpeer-review

  35. 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 journalArticleScientificpeer-review

  36. 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 journalArticleScientificpeer-review

  37. 2010
  38. 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 journalArticleScientificpeer-review

  39. 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 journalArticleScientificpeer-review

  40. 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 journalArticleScientificpeer-review

  41. 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 journalArticleScientificpeer-review

  42. 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 journalArticleScientificpeer-review

  43. 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 journalArticleScientificpeer-review

  44. 2009
  45. 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 journalArticleScientificpeer-review

  46. 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 journalArticleScientificpeer-review

  47. 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 journalArticleScientificpeer-review

  48. Published

    Ionic surfactant aggregates in saline solutions: Sodium dodecyl sulphate (SDS) in the presence of excess sodium chloride (NaCl) or calcium chloride (CaCl2)

    Sammalkorpi, M., Karttunen, M. & Haataja, M., 2009, In : Journal of Physical Chemistry B. 113, 17, p. 5863–5870

    Research output: Contribution to journalArticleScientificpeer-review

  49. 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 journalArticleScientificpeer-review

  50. 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 journalArticleScientificpeer-review

  51. 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 journalArticleScientificpeer-review

  52. 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 journalArticleScientificpeer-review

  53. 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 journalArticleScientificpeer-review

  54. 2008
  55. Published

    Effect of NaCl and KCL on Phosphatidylcholine and Phosphatidylethanolamine Lipid Membranes: Insight from Atomic-Scale Simulations for Understanding Salt-Induced Effects in the Plasma Membrane

    Gurtovenko, A. A. & Vattulainen, I., 2008, In : Journal of Physical Chemistry B. 112, p. 1953-1962

    Research output: Contribution to journalArticleScientificpeer-review

  56. 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 journalArticleScientificpeer-review

  57. 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 journalArticleScientificpeer-review

  58. 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 journalArticleScientificpeer-review

  59. 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 journalArticleScientificpeer-review

  60. Published

    Notes of the recent structural studies on lead zirconate titanate

    Frantti, J., 2008, In : Journal of Physical Chemistry B. 112, 21, p. 6521-6535

    Research output: Contribution to journalArticleScientificpeer-review

  61. Published

    Replacing the cholesterol hydroxyl group by the ketone group facilitates sterol flip-flop and promotes membrane fluidity

    Rog, T., Stimson, L. M., Pasenkiewicz-Gierula, M., Vattulainen, I. & Karttunen, M., 2008, In : Journal of Physical Chemistry B. 112, p. 1946-1952

    Research output: Contribution to journalArticleScientificpeer-review

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