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2017
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 Analog of discontinuous shear thickening flows under confining pressure
Dong, Junhao ^LU and Trulsson, Martin ^LU (2017) In Physical Review Fluids 2(8).
- 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 Comparison of QM/MM Methods To Obtain Ligand-Binding Free Energies
Olsson, Martin A. ^LU and Ryde, Ulf ^LU (2017) In Journal of Chemical Theory and Computation 13(5). p.2245-2253
- Contribution to journal › Article
Mark Ligand manipulation of charge transfer excited state relaxation and spin crossover in [Fe(2,2'-bipyridine)₂(CN)₂]
Kjær, Kasper S. ^LU ; Zhang, Wenkai ; Alonso-Mori, Roberto ; Bergmann, Uwe ; Chollet, Matthieu ; Hadt, Ryan G. ; Hartsock, Robert W. ; Harlang, Tobias ^LU ; Kroll, Thomas and Kubiček, Katharina , et al. (2017) In Structural Dynamics 4(4).
- Contribution to journal › Article
Mark Using electric fields for pulse compression and group-velocity control
Li, Qian ^LU ; Kinos, Adam ^LU ; Thuresson, Axel ^LU ; Rippe, Lars ^LU and Kröll, Stefan ^LU (2017) In Physical Review A 95(3).
- Contribution to journal › Article
Mark Flocculated Laponite-PEG/PEO Dispersions with Multivalent Salt : A SAXS, Cryo-TEM, and Computer Simulation Study
Thuresson, Axel ^LU ; Segad, M. ^LU ; Plivelic, Tomás S. ^LU and Skepö, Marie ^LU (2017) In Journal of Physical Chemistry C 121(13). p.7387-7396
- Contribution to journal › Article
Mark Effect of friction on dense suspension flows of hard particles
Trulsson, M. ^LU ; DeGiuli, E. and Wyart, M. (2017) In Physical Review E: covering statistical, nonlinear, biological, and soft matter physics 95(1).
- Contribution to journal › Article
Mark Electronic structure and excited state properties of iron carbene photosensitizers - A combined X-ray absorption and quantum chemical investigation
Ericson, Fredric ^LU ; Honarfar, Alireza ; Prakash, Om ^LU ; Tatsuno, Hideyuki ^LU ; Fredin, Lisa A. ^LU ; Handrup, Karsten ^LU ; Chabera, Pavel ^LU ; Gordivska, Olga ^LU ; Kjær, Kasper S. ^LU and Liu, Yizhu ^LU , et al. (2017) In Chemical Physics Letters 683. p.559-566
- Contribution to journal › Article
Mark Bare and Effective Charge of Mesoporous Silica Particles
Valetti, Sabrina ; Feiler, Adam and Trulsson, Martin ^LU (2017) In Langmuir 33(29). p.7343-7351
- Contribution to journal › Article

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