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2023
Mark KIF-Key Interactions Finder : A program to identify the key molecular interactions that regulate protein conformational changes
Crean, Rory M ; Slusky, Joanna S G ; Kasson, Peter M and Kamerlin, Shina Caroline Lynn ^LU (2023) In The Journal of chemical physics 158(14).
- Contribution to journal › Article
Mark Q-RepEx : A Python pipeline to increase the sampling of empirical valence bond simulations
Brickel, Sebastian ; Demkiv, Andrey O ; Crean, Rory M ; Pinto, Gaspar P and Kamerlin, Shina Caroline Lynn ^LU (2023) In Journal of Molecular Graphics and Modelling 119.
- Contribution to journal › Article
2017
Mark Enzyme Architecture : Modeling the Operation of a Hydrophobic Clamp in Catalysis by Triosephosphate Isomerase
Kulkarni, Yashraj S ; Liao, Qinghua ; Petrović, Dušan ; Krüger, Dennis M ; Strodel, Birgit ; Amyes, Tina L ; Richard, John P and Kamerlin, Shina C L ^LU (2017) In Journal of the American Chemical Society 139(30). p.10514-10525
- Contribution to journal › Article
2015
Mark Creating novel activated factor XI inhibitors through fragment based lead generation and structure aided drug design
Fjellström, Ola ; Akkaya, Sibel ; Beisel, Hans-Georg ; Eriksson, Per-Olof ; Erixon, Karl ; Gustafsson, David ; Jurva, Ulrik ; Kang, Daiwu ; Karis, David and Knecht, Wolfgang ^LU , et al. (2015) In PLoS ONE 10(1).
- Contribution to journal › Article
Mark Understanding thio-effects in simple phosphoryl systems : role of solvent effects and nucleophile charge
Carvalho, Alexandra T P ; O'Donoghue, AnnMarie C ; Hodgson, David R W and Kamerlin, Shina C L ^LU (2015) In Organic and Biomolecular Chemistry 13(19). p.8-5391
- Contribution to journal › Article
2014
Mark Macrolide antibiotics allosterically predispose the ribosome for translation arrest
Sothiselvam, Shanmugapriya ; Liu, Bo ; Han, Wei ; Ramu, Haripriya ; Klepacki, Dorota ; Atkinson, Gemma Catherine ^LU ; Brauer, Age ; Remm, Maido ; Tenson, Tanel and Schulten, Klaus , et al. (2014) In Proceedings of the National Academy of Sciences of the United States of America 111(27). p.9804-9809
- Contribution to journal › Article
Mark Design, synthesis, crystallographic studies, and preliminary biological appraisal of new substituted triazolo[4,3-b]pyridazin-8-amine derivatives as tankyrase inhibitors
Liscio, Paride ; Carotti, Andrea ; Asciutti, Stefania ; Karlberg, Tobias ^LU ; Bellocchi, Daniele ; Llacuna, Laura ; Macchiarulo, Antonio ; Aaronson, Stuart A ; Schüler, Herwig ^LU and Pellicciari, Roberto , et al. (2014) In Journal of Medicinal Chemistry 57(6). p.12-2807
- Contribution to journal › Article
2011
Mark The activity of barley NADPH-dependent thioredoxin reductase C is independent of the oligomeric state of the protein: tetrameric structure determined by cryo-electron microscopy
Peterson Wulff, Ragna ^LU ; Lundqvist, J. ; Rutsdottir, Gudrun ^LU ; Hansson, A. ; Stenbaek, A. ; Elmlund, D. ; Elmlund, H. ; Jensen, P. E. and Hansson, Mats ^LU (2011) In Biochemistry 50(18). p.3713-3723
- Contribution to journal › Article
2010
Mark Sealing of submicrometer wells by a shear-driven lipid bilayer
Jönsson, Peter ^LU ; Jonsson, Magnus P ^LU and Höök, Fredrik ^LU (2010) In Nano Letters 10(5). p.6-1900
- Contribution to journal › Article
Mark Comparative structural analysis of human DEAD-box RNA helicases
Schütz, Patrick ; Karlberg, Tobias ^LU ; van den Berg, Susanne ; Collins, Ruairi ; Lehtiö, Lari ; Högbom, Martin ; Holmberg-Schiavone, Lovisa ; Tempel, Wolfram ; Park, Hee-Won and Hammarström, Martin , et al. (2010) In PLoS ONE 5(9).
- Contribution to journal › Article

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