Found: 13
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Hydrolysis of Phosphotriesters: A Theoretical Analysis of the Enzymatic and Solution Mechanisms.
- Published in:
- Chemistry - A European Journal, 2012, v. 18, n. 31, p. 9612, doi. 10.1002/chem.201103615
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- Article
Ensemble-Averaged QM/MM Kinetic Isotope Effects for the S<sub>N</sub>2 Reaction of Cyanide Anions with Chloroethane in DMSO Solution.
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- Chemistry - A European Journal, 2012, v. 18, n. 30, p. 9405, doi. 10.1002/chem.201200443
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- Article
Pomotrelvir and Nirmatrelvir Binding and Reactivity with SARS‐CoV‐2 Main Protease: Implications for Resistance Mechanisms from Computations.
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- Angewandte Chemie, 2024, v. 136, n. 40, p. 1, doi. 10.1002/ange.202409527
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- Article
Inhibition Mechanism of SARS‐CoV‐2 Main Protease with Ketone‐Based Inhibitors Unveiled by Multiscale Simulations: Insights for Improved Designs**.
- Published in:
- Angewandte Chemie, 2021, v. 133, n. 49, p. 26137, doi. 10.1002/ange.202110027
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- Article
Front Cover: Insights into the Structural and Energetic Descriptions of Ubiquitin Specific Protease 7 (USP7) Catalytic Mechanisms by Hybrid QM/MM Simulations. (ChemCatChem 17/2023).
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- ChemCatChem, 2023, v. 15, n. 17, p. 1, doi. 10.1002/cctc.202301008
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- Article
Insights into the Structural and Energetic Descriptions of Ubiquitin Specific Protease 7 (USP7) Catalytic Mechanisms by Hybrid QM/MM Simulations.
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- ChemCatChem, 2023, v. 15, n. 17, p. 1, doi. 10.1002/cctc.202300344
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- Article
Chemical Ligation and Isotope Labeling to Locate Dynamic Effects during Catalysis by Dihydrofolate Reductase.
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- Angewandte Chemie International Edition, 2015, v. 54, n. 31, p. 9016, doi. 10.1002/anie.201503968
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- Article
QM/MM kinetic isotope effects for chloromethane.
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- Journal of Physical Organic Chemistry, 2013, v. 26, n. 12, p. 1058, doi. 10.1002/poc.3144
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- Article
Pomotrelvir and Nirmatrelvir Binding and Reactivity with SARS‐CoV‐2 Main Protease: Implications for Resistance Mechanisms from Computations.
- Published in:
- Angewandte Chemie International Edition, 2024, v. 63, n. 40, p. 1, doi. 10.1002/anie.202409527
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- Publication type:
- Article
Inhibition Mechanism of SARS‐CoV‐2 Main Protease with Ketone‐Based Inhibitors Unveiled by Multiscale Simulations: Insights for Improved Designs**.
- Published in:
- Angewandte Chemie International Edition, 2021, v. 60, n. 49, p. 25933, doi. 10.1002/anie.202110027
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- Publication type:
- Article
Chemical Ligation and Isotope Labeling to Locate Dynamic Effects during Catalysis by Dihydrofolate Reductase.
- Published in:
- Angewandte Chemie, 2015, v. 127, n. 31, p. 9144, doi. 10.1002/ange.201503968
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- Publication type:
- Article
Activation and friction in enzymatic loop opening and closing dynamics.
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- Nature Communications, 2024, v. 15, n. 1, p. 1, doi. 10.1038/s41467-024-46723-9
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- Article
Studying the role of protein dynamics in an S<sub>N</sub>2 enzyme reaction using free-energy surfaces and solvent coordinates.
- Published in:
- Nature Chemistry, 2013, v. 5, n. 7, p. 566, doi. 10.1038/nchem.1660
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- Article