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2018
Mark Role of Ligand-Driven Conformational Changes in Enzyme Catalysis : Modeling the Reactivity of the Catalytic Cage of Triosephosphate Isomerase
Kulkarni, Yashraj S ; Liao, Qinghua ; Byléhn, Fabian ; Amyes, Tina L ; Richard, John P and Kamerlin, Shina C L ^LU (2018) In Journal of the American Chemical Society 140(11). p.3854-3857
- Contribution to journal › Article
Mark Challenges and advances in the computational modeling of biological phosphate hydrolysis
Petrović, Dušan ; Szeler, Klaudia and Kamerlin, Shina Caroline Lynn ^LU (2018) In Chemical Communications 54(25). p.3077-3089
- Contribution to journal › Scientific review
Mark A Potent and Selective PARP11 Inhibitor Suggests Coupling between Cellular Localization and Catalytic Activity
Kirby, Ilsa T ; Kojic, Ana ; Arnold, Moriah R ; Thorsell, Ann-Gerd ; Karlberg, Tobias ^LU ; Vermehren-Schmaedick, Anke ; Sreenivasan, Raashi ; Schultz, Carsten ; Schüler, Herwig ^LU and Cohen, Michael S (2018) In Cell Chemical Biology 25(12). p.12-1553
- Contribution to journal › Article
Mark A DNA-Encoded Library of Chemical Compounds Based on Common Scaffolding Structures Reveals the Impact of Ligand Geometry on Protein Recognition
Favalli, Nicholas ; Biendl, Stefan ; Hartmann, Marco ; Piazzi, Jacopo ; Sladojevich, Filippo ; Gräslund, Susanne ; Brown, Peter J ; Näreoja, Katja ; Schüler, Herwig ^LU and Scheuermann, Jörg , et al. (2018) In ChemMedChem 13(13). p.1303-1307
- Contribution to journal › Article
Mark Design, synthesis and evaluation of potent and selective inhibitors of mono-(ADP-ribosyl)transferases PARP10 and PARP14
Holechek, Jacob ; Lease, Robert ; Thorsell, Ann-Gerd ; Karlberg, Tobias ^LU ; McCadden, Caitlin ; Grant, Ryan ; Keen, Abby ; Callahan, Evan ; Schüler, Herwig ^LU and Ferraris, Dana (2018) In Bioorganic & Medicinal Chemistry Letters 28(11). p.2050-2054
- Contribution to journal › Article
Mark Structure-activity relationships for inhibitors of Pseudomonas aeruginosa exoenzyme S ADP-ribosyltransferase activity
Saleeb, Michael ; Sundin, Charlotta ; Aglar, Öznur ; Pinto, Ana Filipa ; Ebrahimi, Mahsa ; Forsberg, Åke ; Schüler, Herwig ^LU and Elofsson, Mikael (2018) In European Journal of Medicinal Chemistry 143. p.568-576
- Contribution to journal › Article
2017
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 Simulating the reactions of substituted pyridinio-N-phosphonates with pyridine as a model for biological phosphoryl transfer
Pabis, Anna ; Williams, Nicholas H and Kamerlin, Shina C L ^LU (2017) In Organic and Biomolecular Chemistry 15(35). p.7308-7316
- Contribution to journal › Article
Mark Design and synthesis of potent inhibitors of the mono(ADP-ribosyl)transferase, PARP14
Upton, Kristen ; Meyers, Matthew ; Thorsell, Ann-Gerd ; Karlberg, Tobias ^LU ; Holechek, Jacob ; Lease, Robert ; Schey, Garrett ; Wolf, Emily ; Lucente, Adrianna and Schüler, Herwig ^LU , et al. (2017) In Bioorganic & Medicinal Chemistry Letters 27(13). p.2907-2911
- Contribution to journal › Article
2016
Mark Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis
Brunner, Katharina ; Maric, Selma ^LU ; Reshma, Rudraraju Srilakshmi ; Almqvist, Helena ; Seashore-Ludlow, Brinton ; Gustavsson, Anna-Lena ; Poyraz, Ömer ; Yogeeswari, Perumal ; Lundbäck, Thomas and Vallin, Michaela , et al. (2016) In Journal of Medicinal Chemistry 59(14). p.59-6848
- Contribution to journal › Article

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