eSSENCE Publications
Below you will find a list of all peer-reviewed publications in scientific journals and conference proceedings from the eSSENCE research groups in 2010-2014.

Acknowledgements and logos
We ask all eSSENCE researchers to acknowledge the research program in their publications/presentations:

For work directly funded by eSSENCE:
This work was supported by the Swedish strategic research programme eSSENCE.

For work originating from the eSSENCE environment, irrespective funding:
This work forms part of the Swedish strategic research programme eSSENCE.

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AuthorsTitleJournal / ConferenceYear
Wallin, G., Härd, T. & Åqvist, J. Folding-Reaction Coupling in a Self-Cleaving ProteinJ. Chem. Theor. Comput., 8, , 3871-38792012
R. Borstnar, M. Repic, S. C. L. Kamerlin, R. Vianello and J. MavriComputational study of the pKa values of potential catalytic residues in the active site of monoamine oxidase B.J. Chem. Theory. Comput., 8, , 3864-38702012
Mishra, S.K., Sund, J., Åqvist, J. & Koca, J. Computational prediction of monosaccharide binding free energies to lectins with linear interaction energy modelsJ. Comput. Chem., 29, , 2340-23502012
Krisztina Kádas , Marcio Teles da Costa , Levente Vitos , Yvonne Andersson , Anders Bergman and Olle ErikssonOn the icosahedral metal–phosphorus coordination in melliniite: a gift from the sky for materials chemistryJ. Mater. Chem., 22, , 14741-147452012
Haiyang Zhang, Tianwei Tan, Wei Feng and David van der SpoelMolecular Recognition in Different Environments - ?-Cyclodextrin Dimer Formation in Organic SolventsJ. Phys. Chem. B, 116, , 12684-126932012
Haiyang Zhang, Chunling Ge, David van der Spoel, Wei Feng and Tianwei TanAtomic Insight into Structural Change of Beta-Cyclodextrin Caused by Alcohol Co-solvents and Guest MoleculesJ. Phys. Chem. B., 116, , 3880-38892012
B. R. Prasad, S. C. L. Kamerlin, N. V. Plotnikov and A. WarshelStudying catalysis by QM/MM approaches should not be a black box process.J. Thermodynam. Cat. , 3, , 42012
Sala, J., Guardia, E., Marti, J., Spångberg, D., Masia, MFitting properties from density functional theory based molecular dynamics simulations to parameterize a rigid water force fieldJournal of Chemical Physics, 136, 5, 0541032012
Woodward, Clifford E., Forsman, JanMany-body interactions between particles in a polydisperse polymer fluidJournal Of Chemical Physics, 136, 8, 2012
Kullgren, Jolla Hermansson, Kersti Castleton, ChristopherMany competing ceria (110) oxygen vacancy structures: From small to large supercellsJournal of Chemical Physics, 137, 4, 0447052012
Hatlo, Marius M., Banerjee, Priyanka, Forsman, Jan, Lue, LeoDensity functional theory for Yukawa fluidsJournal of Chemical Physics, 137, 6, 2012
Emil Kieri, Sverker Holmgren, and Hans O. KarlssonAn adaptive pseudospectral method for wave packet dynamicsJournal of Chemical Physics, 137, , 044111:1-122012
Yu, Rixin, Yu, Jiangfei, Bai, Xue-SongAn improved high-order scheme for DNS of low Mach number turbulent reacting flows based on stiff chemistry solverJournal of Computational Physics, 231, 16, 55212012
Fröling, Maria, Persson, KentComputational Methods for Laminated GlassJournal of Engineering Mechanics, Preview manuscript, dx.doi.org/10.1061/(ASCE)EM.1943-7889.0000527, 2012
Johansson, Roger, Holsanova, Jana, Dewhurst, Richard, Holmqvist, KennethEye movements during scene recollection have a functional role, but they are not reinstatements of those produced during encodingJournal of Experimental Psychology: Human Perception and Performance, 38, 5, 13142012
Foulsham, Thomas, Dewhurst, Richard, Nyström, Marcus, Jarodzka, Halszka, Johansson, Roger, Underwood, Geoffrey, Holmqvist, KennethComparing scanpaths during scene encoding and recognition: A multi-dimensional approachJournal of Eye Movement Research, 5, 4:3, 142012
Akkermans, T., Lauwaet, D., Demuzere, M., Vogel, G., Nouvellon, Y., Ardö, Jonas, Caquet, B., De Grandcourt, A., Merbold, L., Kutsch, W., Van Lipzig, N.Validation and comparison of two soil-vegetation-atmosphere transfer models for tropical AfricaJournal of Geophysical Research: Biogeosciences, 117, , 2012
Nilsson, Anders, Markenroth Bloch, Karin, Carlsson, Marcus, Heiberg, Einar, Ståhlberg, FreddyVariable velocity encoding in a three-dimensional, three-directional phase contrast sequence: Evaluation in phantom and volunteers.Journal of magnetic resonance imaging : JMRI, 36, 6, 1450-14592012
Ardö, Håkan, Åström, KarlBayesian Formulation of Image Patch Matching Using Cross-correlationJournal of Mathematical Imaging and Vision, 43, 1, 872012
Madru, Renata, Kjellman, Pontus, Olsson, Fredrik, Wingårdh, Karin, Ingvar, Christian, Ståhlberg, Freddy, Olsrud, Johan, Lätt, Jimmy, Fredriksson, Sarah, Knutsson, Linda, Strand, Sven-Erik99mTc-Labeled Superparamagnetic Iron Oxide Nanoparticles for Multimodality SPECT/MRI of Sentinel Lymph Nodes.Journal of Nuclear Medicine, 53, 3, 4632012
Raymand, David Jacobsson, T. Jesper Hermansson, Kersti et alInvestigation of Vibrational Modes and Phonon Density of States in ZnO Quantum DotsJournal of Physical Chemistry C, 116, 12, 6893-69012012
Lu, Zhansheng Kullgren, Jolla Yang, Zongxian et al.Sulfidation of Ceria Surfaces from Sulfur and Sulfur DiffusionJournal of Physical Chemistry C, 116, 15, 8417-84252012
Szparaga, Ryan, Woodward, Clifford E., Forsman, JanTheoretical Prediction of the Capacitance of Ionic Liquid FilmsJournal of Physical Chemistry C, 116, 30, 159512012
Kurut, Anil, Persson, Björn, Åkesson, Torbjörn, Forsman, Jan, Lund, MikaelAnisotropic Interactions in Protein Mixtures,: Self Assembly and Phase Behavior in Aqueous SolutionJournal of Physical Chemistry Letters, 3, 6, 7342012
Delhorme, Maxime, Labbez, Christophe, Jönsson, BoLiquid Crystal Phases in Suspensions of Charged Plate-Like ParticlesJournal of Physical Chemistry Letters, 3, 10, 13202012
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