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Enumeration	Reference	Cover
1.	Crean, Rory M. (author) Loop Dynamics and Enzyme Catalysis in Protein Tyrosine Phosphatases 2021 In: Journal of the American Chemical Society. - 0002-7863. ; 143:10, 3830-3845 swepub:Mat__t	Read full
2.	Szeler, Klaudia (author) Modeling the Alkaline Hydrolysis of Diaryl Sulfate Diesters 2020 In: Journal of Organic Chemistry. - 0022-3263. ; 85:10, 6489-6497 swepub:Mat__t	Read full
3.	Szeler, Klaudia (author) Computational Protein Evolution 2020 swepub:Mat__t	Read full
4.	Pabis, Anna (author) Cooperativity and flexibility in enzyme evolution 2018 In: Current opinion in structural biology. - 0959-440X. ; 48, 83-92 swepub:Mat__t	Read full
5.	Crean, Rory M. (author) Harnessing Conformational Plasticity to Generate Designer Enzymes 2020 In: Journal of the American Chemical Society. - 0002-7863. ; 142:26, 11324-11342 swepub:Mat__t	Read full
6.	Fisher, Gemma (author) Allosteric rescue of catalytically impaired ATP phosphoribosyltransferase variants links protein dynamics to active-site electrostatic preorganisation 2022 In: Nature Communications. ; 13 swepub:Mat__t	Read full
7.	Odoemelam, Chiemela S. (author) In Silico Ligand Docking Approaches to Characterise the Binding of Known Allosteric Modulators to the Glucagon-Like Peptide 1 Receptor and Prediction of ADME/Tox Properties 2022 In: Applied Biosciences. ; 1:2, 143-162 swepub:Mat__t	Read full
8.	Risso, Valeria A. (author) De novo active sites for resurrected Precambrian enzymes 2017 In: Nature Communications. - 2041-1723. ; 8 swepub:Mat__t	Read full
9.	Krüger, Dennis M. (author) Micelle Maker 2017 In: ; 2:8, 4524-4530 swepub:Mat__t	Read full
10.	Janfalk Carlsson, Åsa 1980- (author) Epoxide Hydrolysis as a Model System for Understanding Flux Through a Branched Reaction Scheme 2018 In: IUCrJ. - 0972-6918. ; 5:3, 269-282 swepub:Mat__t	Read full
11.	Purg, Miha (author) Similar Active Sites and Mechanisms Do Not Lead to Cross-Promiscuity in Organophosphate Hydrolysis 2017 In: Journal of the American Chemical Society. - 0002-7863. ; 139:48, 17533-17546 swepub:Mat__t	Read full
12.	Kulkarni, Yashraj S. (author) Role of Ligand-Driven Conformational Changes in Enzyme Catalysis 2018 In: Journal of the American Chemical Society. - 0002-7863. ; 140:11, 3854-3857 swepub:Mat__t	Read full
13.	Mhasal, Anil Rhanu (author) Modeling the Role of a Flexible Loop and Active Site Side Chains in Hydride Transfer Catalyzed by Glycerol-3-phosphate Dehydrogenase 2020 In: ACS Catalysis. - 2155-5435. ; 10:19, 11253-11267 swepub:Mat__t	Read full
14.	Tatum, Natalie J. (author) Relative Binding Energies Predict Crystallographic Binding Modes of Ethionamide Booster Lead Compounds 2019 In: Journal of Physical Chemistry Letters. - 1948-7185. ; 10:9, 2244-2249 swepub:Mat__t	Read full
15.	Petrovic, Dusan (author) Challenges and advances in the computational modeling of biological phosphate hydrolysis 2018 In: Chemical Communications. - 1359-7345. ; 54:25, 3077-3089 swepub:Mat__t	Read full
16.	Purg, Miha, 1988- (author) Computational Modeling of the Mechanisms and Selectivity of Organophosphate Hydrolases 2018 swepub:Mat__t	Read full
17.	Hong, Nan-Sook (author) The evolution of multiple active site configurations in a designed enzyme 2018 In: Nature Communications. - 2041-1723. ; 9 swepub:Mat__t	Read full
18.	Petrovic, Dusan (author) Shuffling Active Site Substate Populations Affects Catalytic Activity 2017 In: ACS Catalysis. - 2155-5435. ; 7:9, 6188-6197 swepub:Mat__t	Read full
19.	Barrozo, Alexandre (author) Computer simulations of the catalytic mechanism of wild-type and mutant beta-phosphoglucomutase 2018 In: Organic and biomolecular chemistry. - 1477-0520. ; 16:12, 2060-2073 swepub:Mat__t	Read full
20.	Zhan, Shaoqi (author) Capturing the Role of Explicit Solvent in the Dimerization of Ru-V(bda) Water Oxidation Catalysts 2017 In: Angewandte Chemie International Edition. - 1433-7851. ; 56:24, 6962-6965 swepub:Mat__t	Read full
21.	Bauer, Paul (author) Q6 2018 In: Software Quality Professional. - 1522-0540. swepub:Mat__t	Read full
22.	Liao, Qinghua (author) Loop Motion in Triosephosphate Isomerase Is Not a Simple Open and Shut Case 2018 In: Journal of the American Chemical Society. - 0002-7863. ; 15889-15903 swepub:Mat__t	Read full
23.	Parkash, Vimal (author) Structural consequence of the most frequently recurring cancer-associated substitution in DNA polymerase epsilon 2019 In: Nature Communications. - 2041-1723. ; 10 swepub:Mat__t	Read full
24.	Baier, Florian (author) Cryptic genetic variation shapes the adaptive evolutionary potential of enzymes 2019 In: eLIFE. ; 8 swepub:Mat__t	Read full
25.	Pinto, Gaspar P. (author) Exploiting enzyme evolution for computational protein design 2022 In: TIBS -Trends in Biochemical Sciences. Regular ed.. - 0968-0004. ; 47:5, 375-389 swepub:Mat__t	Read full
26.	Kulkarni, Yashraj (author) Uncovering the Role of Key Active-Site Side Chains in Catalysis 2019 In: Journal of the American Chemical Society. - 0002-7863. ; 141:40, 16139-16150 swepub:Mat__t	Read full
27.	Gamiz-Arco, Gloria (author) Heme-binding enables allosteric modulation in an ancient TIM-barrel glycosidase 2021 In: Nature Communications. - 2041-1723. ; 12 swepub:Mat__t	Read full
28.	Biler, Michal (author) Ground-State Destabilization by Active-Site Hydrophobicity Controls the Selectivity of a Cofactor-Free Decarboxylase 2020 In: Journal of the American Chemical Society. - 0002-7863. ; 142:47, 20216-20231 swepub:Mat__t	Read full
29.	Moreira, Catia (author) The role of ligand-gated conformational changes in enzyme catalysis 2019 In: Biochemical Society Transactions. - 0300-5127. ; 47, 1449-1460 swepub:Mat__t	Read full
30.	Gardner, Jasmine M. (author) Manipulating Conformational Dynamics To Repurpose Ancient Proteins for Modern Catalytic Functions 2020 In: ACS Catalysis. - 2155-5435. ; 10:9, 4863-4870 swepub:Mat__t	Read full
31.	Enugala, Thilak Reddy (author) The Role of Substrate-Coenzyme Crosstalk in Determining Turnover Rates in Rhodococcus ruber Alcohol Dehydrogenase 2020 In: ACS Catalysis. - 2155-5435. ; 10, 9115-9128 swepub:Mat__t	Read full
32.	Corbella Morató, Marina (author) The N-terminal Helix-Turn-Helix Motif of Transcription Factors MarA and Rob Drives DNA Recognition 2021 In: Journal of Physical Chemistry B. - 1520-6106. ; 125:25, 6791-6806 swepub:Mat__t	Read full
33.	Kamerlin, Shina C. Lynn, 1981- (author) Journal Open Access and Plan S 2021 In: Development and Change. - 0012-155X. ; 52:3, 627-650 swepub:Mat__t	Read full
34.	Romero-Rivera, Adrian (author) Complex Loop Dynamics Underpin Activity, Specificity, and Evolvability in the (beta alpha)(8) Barrel Enzymes of Histidine and Tryptophan Biosynthesi 2022 In: JACS AU. - 2691-3704. ; 2:4, 943-960 swepub:Mat__t	Read full
35.	Pfeiffer, Martin (author) Essential Functional Interplay of the Catalytic Groups in Acid Phosphatase 2022 In: ACS Catalysis. - 2155-5435. ; 12:6, 3357-3370 swepub:Mat__t	Read full
36.	Brickel, Sebastian (author) Q-RepEx 2023 In: Journal of Molecular Graphics and Modelling. - 1093-3263. ; 119 swepub:Mat__t	Read full
37.	Crean, Rory M. (author) KIF-Key Interactions Finder 2023 In: Journal of Chemical Physics. - 0021-9606. ; 158:14 swepub:Mat__t	Read full
38.	Kourist, Robert (author) A Structural View into the Complexity of Carbon Dioxide Fixation 2022 In: ACS CENTRAL SCIENCE. - 2374-7943. ; 8:8, 1040-1042 swepub:Mat__t	Read full
39.	Crnjar, Alessandro (author) Conformational Selection of a Tryptophan Side Chain Drives the Generalized Increase in Activity of PET Hydrolases through a Ser/Ile Double Mutation 2023 In: ACS ORGANIC & INORGANIC AU. - 2694-247X. ; 3:2, 109-119 swepub:Mat__t	Read full

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