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- 2019
-
Mark
Effect of implementing magnetic resonance imaging for patient-specific OpenSim models on lower-body kinematics and knee ligament lengths
- Contribution to journal › Article
-
Mark
The role of ligand-gated conformational changes in enzyme catalysis
Moreira, Cátia ; Calixto, Ana Rita ; Richard, John P and Kamerlin, Shina Caroline Lynn LU
(2019)
In Biochemical Society Transactions
47(5).
p.1449-1460
- Contribution to journal › Scientific review
- 2018
-
Mark
Empirical Valence Bond Simulations of Organophosphate Hydrolysis : Theory and Practice
- Chapter in Book/Report/Conference proceeding › Book chapter
-
Mark
Computer simulations of the catalytic mechanism of wild-type and mutant β-phosphoglucomutase
Barrozo, Alexandre ; Liao, Qinghua ; Esguerra, Mauricio ; Marloie, Gaël ; Florián, Jan ; Williams, Nicholas H and Kamerlin, Shina Caroline Lynn LU
(2018)
In Organic and Biomolecular Chemistry
16(12).
p.2060-2073
- 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
- 2017
-
Mark
Fragment-Based Discovery and Optimization of Enzyme Inhibitors by Docking of Commercial Chemical Space
Rudling, Axel ; Gustafsson, Robert ; Almlöf, Ingrid ; Homan, Evert ; Scobie, Martin ; Warpman Berglund, Ulrika ; Helleday, Thomas ; Stenmark, Pål LU
and Carlsson, Jens
(2017)
In Journal of Medicinal Chemistry
60(19).
p.8160-8169
- Contribution to journal › Article
-
Mark
Coarse-grained empirical potential structure refinement : Application to a reverse aqueous micelle
Soper, A. K. and Edler, K. J. LU
(2017)
In Biochimica et Biophysica Acta - General Subjects
1861(6).
p.1652-1660
- Contribution to journal › Article
- 2016
-
Mark
Theoretical Atomic Spectroscopy of Earthbound and Stellar Plasma
(2016)
- Thesis › Doctoral thesis (compilation)
-
Mark
Predictive Modeling in Musculoskeletal Mechanobiology
- Chapter in Book/Report/Conference proceeding › Book chapter
-
Mark
Probing the mechanisms for the selectivity and promiscuity of methyl parathion hydrolase
Purg, Miha ; Pabis, Anna ; Baier, Florian ; Tokuriki, Nobuhiko ; Jackson, Colin and Kamerlin, Shina Caroline Lynn LU
(2016)
In Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Science
374(2080).
- Contribution to journal › Article