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Semelak, Jonathan A.
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1

Catalytic Mechanism of Mycobacterium tuberculosis Methionin..:

Sastre, Santiago ; Manta, Bruno ; Semelak, Jonathan A....
Biochemistry.  , 2024
Link: https://doi.org/10.1021/..
 
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2

Inorganic Polysulfides in Solution: Structural Properties a..:

Gajst, Joaquín ; Semelak, Jonathan A. ; Scherlis, Damián..
Inorganic Chemistry.  63 (2024)  27 - p. 12385-12398 , 2024
Link: https://doi.org/10.1021/..
 
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3

A unique mode of coenzyme A binding to the nucleotide bindi..:

Tossounian, Maria-Armineh ; Hristov, Stefan Denchev ; Semelak, Jonathan Alexis...
Free Radical Biology and Medicine.  218 (2024)  - p. 40 , 2024
Link: https://doi.org/10.1016/..
 
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4

Assessment of Embedding Schemes in a Hybrid Machine Learnin..:

Grassano, Juan S. ; Pickering, Ignacio ; Roitberg, Adrian E....
Journal of Chemical Information and Modeling.  64 (2024)  10 - p. 4047-4058 , 2024
Link: https://doi.org/10.1021/..
 
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5

Catalytic Mechanism of Mycobacterium tuberculosis Methionin..:

Santiago Sastre ; Bruno Manta ; Jonathan A. Semelak...
doi:10.1021/acs.biochem.3c00504.s001.  , 2024
Link: https://doi.org/10.1021/..
 
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6

Catalytic Mechanism of Mycobacterium tuberculosis Methionin..:

Santiago Sastre ; Bruno Manta ; Jonathan A. Semelak...
doi:10.1021/acs.biochem.3c00504.s001.  , 2024
Link: https://doi.org/10.1021/..
 
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7

A Unique Mode of Coenzyme A Binding to the Nucleotide Bindi..:

Tossounian, Maria-Armineh ; Hristov, Stefan Denchev ; Semelak, Jonathan Alexis...
International Journal of Molecular Sciences.  24 (2023)  11 - p. 9359 , 2023
Link: https://doi.org/10.3390/..
 
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8

Minimum Free Energy Pathways of Reactive Processes with Nud..:

Semelak, Jonathan A. ; Zeida, Ari ; Foglia, Nicolás O..
Journal of Chemical Theory and Computation.  , 2023
Link: https://doi.org/10.1021/..
 
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9

The carbonyl-lock mechanism underlying non-aromatic fluores..:

Mirón, Gonzalo Díaz ; Semelak, Jonathan A. ; Grisanti, Luca...
Nature Communications.  14 (2023)  1 - p. , 2023
Link: https://doi.org/10.1038/..
 
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10

Autocatalytic Mechanism in the Anaerobic Reduction of Metmy..:

Palermo, Juan Cruz ; Carllinni Colombo, Melisa ; Semelak, Jonathan A....
Inorganic Chemistry.  62 (2023)  29 - p. 11304-11317 , 2023
Link: https://doi.org/10.1021/..
 
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11

Disulfides form persulfides at alkaline pH leading to poten..:

Benchoam, Dayana ; Cuevasanta, Ernesto ; Semelak, Jonathan A....
Free Radical Biology and Medicine.  207 (2023)  - p. 63-71 , 2023
Link: https://doi.org/10.1016/..
 
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12

Biochemical, structural and mechanistic characterization of..:

Sastre, Santiago ; Manta, Bruno ; Semelak, Jonathan A....
Free Radical Biology and Medicine.  208 (2023)  - p. S138-S139 , 2023
Link: https://doi.org/10.1016/..
 
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13

A Unique Mode of Coenzyme A Binding to the Nucleotide Bindi..:

Maria-Armineh Tossounian ; Stefan Denchev Hristov ; Jonathan Alexis Semelak...
Molecular Endocrinology and Metabolism.  , 2023
Link: https://doi.org/10.3390/..
 
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14

ANI-1X-aa-qmmm Data set:

Juan Santiago Grassano ; Jonathan Alexis Semelak ; Ignacio Pickering...
doi:10.6084/m9.figshare.24582738.v1.  , 2023
Link: https://doi.org/10.6084/..
 
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15

A Unique Mode of Coenzyme A Binding to the Nucleotide Bindi..:

Tossounian, Maria-Armineh ; Hristov, Stefan Denchev ; Semelak, Jonathan Alexis...
https://discovery.ucl.ac.uk/id/eprint/10171517/1/ijms-24-09359-v3.pdf.  , 2023
Link: https://discovery.ucl.ac..
 
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