Computational Chemistry

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2021
Mark PED in 2021 : A major update of the protein ensemble database for intrinsically disordered proteins
Lazar, Tamas ; Martínez-Pérez, Elizabeth ; Quaglia, Federica ; Hatos, András ; Chemes, Lucía B. ; Iserte, Javier A. ; Méndez, Nicolás A. ; Garrone, Nicolás A. ; Saldaño, Tadeo E. and Marchetti, Julia , et al. (2021) In Nucleic Acids Research 49(D1). p.404-411
- Contribution to journal › Article
Mark Orientational arrest in dense suspensions of elliptical particles under oscillatory shear flows
Yousefian, Zakiyeh ^LU and Trulsson, Martin ^LU (2021) In EPL 136(3).
- Contribution to journal › Article
2020
Mark Importance of the iron–sulfur component and of the siroheme modification in the resting state of sulfite reductase
Brânzanic, Adrian M.V. ; Ryde, Ulf ^LU and Silaghi-Dumitrescu, Radu (2020) In Journal of Inorganic Biochemistry 203.
- Contribution to journal › Article
Mark Hot Branching Dynamics in a Light-Harvesting Iron Carbene Complex Revealed by Ultrafast X-ray Emission Spectroscopy
Tatsuno, Hideyuki ^LU ; Kjær, Kasper S. ^LU ; Kunnus, Kristjan ; Harlang, Tobias C.B. ^LU ; Timm, Cornelia ; Guo, Meiyuan ; Chàbera, Pavel ^LU ; Fredin, Lisa A. ^LU ; Hartsock, Robert W. and Reinhard, Marco E. , et al. (2020) In Angewandte Chemie - International Edition 59(1). p.364-372
- Contribution to journal › Article
Mark A numerical study of partitioned fluid-structure interaction applied to a cantilever in incompressible turbulent flow
Lorentzon, Johan ^LU and Revstedt, Johan ^LU (2020) In International Journal for Numerical Methods in Engineering 121(5). p.806-827
- Contribution to journal › Article
Mark Non-monotonic phase behaviour of a mixture containing non-adsorbing particles and polymerising rod-like molecules
Thiyam, Priyadarshini ^LU ; Woodward, Clifford E. and Forsman, Jan ^LU (2020) In Journal of Colloid and Interface Science 568. p.25-35
- Contribution to journal › Article
Mark Spontaneous Formation of Cushioned Model Membranes Promoted by an Intrinsically Disordered Protein
Gerelli, Yuri ; Eriksson Skog, Amanda ^LU ; Jephthah, Stephanie ^LU ; Welbourn, Rebecca J.L. ; Klechikov, Alexey and Skepö, Marie ^LU (2020) In Langmuir 36(15). p.3997-4004
- Contribution to journal › Article
Mark Interactions in aqueous salt solutions : Atomistic modelling versus experiment
Aspelin, Vidar ^LU (2020)
- Thesis › Licentiate thesis
Mark An Exact Ewald Summation Method in Theory and Practice
Stenberg, S. ^LU and Stenqvist, B. ^LU (2020) In The Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory 124(19). p.3943-3946
- Contribution to journal › Article
Mark Physicochemical characterisation of KEIF€-the intrinsically disordered N-terminal region of magnesium transporter A
Jephthah, Stéphanie ^LU ; Månsson, Linda K. ^LU ; Belić, Domagoj ^LU ; Morth, Jens Preben and Skepö, Marie ^LU (2020) In Biomolecules 10(4).
- Contribution to journal › Article

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