Mikolaj J. Feliks
Affiliations: | University of Southern California, Los Angeles, CA, United States |
Area:
computational chemistryGoogle:
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Publications
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| Woodhouse J, Nass Kovacs G, Coquelle N, et al. (2020) Photoswitching mechanism of a fluorescent protein revealed by time-resolved crystallography and transient absorption spectroscopy. Nature Communications. 11: 741 |
| Chojnacka M, Feliks M, Beker W, et al. (2018) Predicting substituent effects on activation energy changes by static catalytic fields. Journal of Molecular Modeling. 24: 28-28 |
| Coquelle N, Sliwa M, Woodhouse J, et al. (2018) Chromophore twisting in the excited state of a photoswitchable fluorescent protein captured by time-resolved serial femtosecond crystallography. Nature Chemistry. 10: 31-37 |
| Bhattacharjee N, Feliks M, Shaik MM, et al. (2016) Catalytic Mechanism of Peptidoglycan Deacetylase: A Computational Study. The Journal of Physical Chemistry. B |
| Feliks M, Lafaye C, Shu X, et al. (2016) Structural Determinants of Improved Fluorescence in a Family of Bacteriophytochrome-Based Infrared Fluorescent Proteins: Insights from Continuum Electrostatic Calculations and Molecular Dynamics Simulations. Biochemistry |
| Feliks M, Field MJ. (2015) Pcetk: A pDynamo-based Toolkit for Protonation State Calculations in Proteins. Journal of Chemical Information and Modeling. 55: 2288-96 |
| Feliks M, Martins BM, Ullmann GM. (2013) Catalytic mechanism of the glycyl radical enzyme 4-hydroxyphenylacetate decarboxylase from continuum electrostatic and QC/MM calculations. Journal of the American Chemical Society. 135: 14574-14585 |
| Feliks M, Ullmann GM. (2012) Glycerol dehydratation by the B12-independent enzyme may not involve the migration of a hydroxyl group: a computational study. Journal of Physical Chemistry B. 116: 7076-7087 |
| Martins BM, Blaser M, Feliks M, et al. (2011) Structural basis for a Kolbe-type decarboxylation catalyzed by a glycyl radical enzyme Journal of the American Chemical Society. 133: 14666-14674 |
| Grzywa R, Dyguda-Kazimierowicz E, Sieńczyk M, et al. (2007) The molecular basis of urokinase inhibition: from the nonempirical analysis of intermolecular interactions to the prediction of binding affinity. Journal of Molecular Modeling. 13: 677-683 |