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2017
Mark The electronic structure of negatively charged fullerenes : From monomers to dimers
Naderi, Fereshteh and Veryazov, Valera ^LU (2017) International Conference of Computational Methods in Sciences and Engineering 2017, ICCMSE 2017 1906.
- Chapter in Book/Report/Conference proceeding › Paper in conference proceeding
Mark Can System Truncation Speed up Ligand-Binding Calculations with Periodic Free-Energy Simulations?
Manzoni, Francesco ^LU ; Uranga, Jon ; Genheden, Samuel ^LU and Ryde, Ulf ^LU (2017) In Journal of Chemical Information and Modeling 57(11). p.2865-2873
- Contribution to journal › Article
Mark Multiscale Modelling of Lytic Polysaccharide Monooxygenases
Hedegård, Erik ^LU and Ryde, Ulf ^LU (2017) In ACS Omega 2. p.536-545
- Contribution to journal › Article
Mark Relativistic Polarizable Embedding
Hedegård, Erik Donovan ^LU ; Bast, Radovan ; Kongsted, Jacob ^LU ; Olsen, Jógvan Magnus Haugaard and Jensen, Hans Jørgen Aagaard (2017) In Journal of Chemical Theory and Computation 13(6). p.2870-2880
- Contribution to journal › Article
Mark Structural Characterization of Histatin 5-Spermidine Conjugates : A Combined Experimental and Theoretical Study
Jephthah, Stephanie ^LU ; Henriques, Joao ^LU ; Cragnell, Carolina ^LU ; Puri, Sumant ; Edgerton, Mira and Skepö, Marie ^LU (2017) In Journal of Chemical Information and Modeling 57(6). p.1330-1341
- Contribution to journal › Article
Mark How Many Conformations Need to Be Sampled to Obtain Converged QM/MM Energies? the Curse of Exponential Averaging
Ryde, Ulf ^LU (2017) In Journal of Chemical Theory and Computation 13(11). p.5745-5752
- Contribution to journal › Article
Mark Molecular Simulations of Melittin-Induced Membrane Pores
Sun, Delin ; Forsman, Jan ^LU and Woodward, Clifford E. (2017) In Journal of Physical Chemistry B 121(44). p.10209-10214
- Contribution to journal › Article
Mark A low-spin Fe(iii) complex with 100-ps ligand-to-metal charge transfer photoluminescence
Chábera, Pavel ^LU ; Liu, Yizhu ^LU ; Prakash, Om ^LU ; Thyrhaug, Erling ^LU ; Nahhas, Amal El ^LU ; Honarfar, Alireza ; Essén, Sofia ^LU ; Fredin, Lisa A. ^LU ; Harlang, Tobias C. B. ^LU and Kjær, Kasper S. ^LU , et al. (2017) In Nature 543(7647). p.695-699
- Contribution to journal › Article
Mark Multiconfigurational Study of the Electronic Structure of Negatively Charged Fullerens
Naderi, Fereshteh and Veryazov, Valera ^LU (2017) In Journal of Chemistry and Chemical Engineering 11. p.30-30
- Contribution to journal › Article
Mark Assessing Structural and thermodynamical properties of IDP's through Synchrotron X-ray Scattering and Monte Carlo Simulations
Cragnell, Carolina ^LU (2017)
- Thesis › Licentiate thesis

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