Mikolaj J. Feliks - Publications

University of Southern California, Los Angeles, CA, United States 
computational chemistry

11 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Woodhouse J, Nass Kovacs G, Coquelle N, Uriarte LM, Adam V, Barends TRM, Byrdin M, de la Mora E, Bruce Doak R, Feliks M, Field M, Fieschi F, Guillon V, Jakobs S, Joti Y, et al. Photoswitching mechanism of a fluorescent protein revealed by time-resolved crystallography and transient absorption spectroscopy. Nature Communications. 11: 741. PMID 32029745 DOI: 10.1038/S41467-020-14537-0  0.36
2018 Chojnacka M, Feliks M, Beker W, Sokalski WA. Predicting substituent effects on activation energy changes by static catalytic fields. Journal of Molecular Modeling. 24: 28-28. PMID 29274012 DOI: 10.1007/S00894-017-3559-6  0.347
2018 Coquelle N, Sliwa M, Woodhouse J, Schirò G, Adam V, Aquila A, Barends TRM, Boutet S, Byrdin M, Carbajo S, De la Mora E, Doak RB, Feliks M, Fieschi F, Foucar L, et al. Chromophore twisting in the excited state of a photoswitchable fluorescent protein captured by time-resolved serial femtosecond crystallography. Nature Chemistry. 10: 31-37. PMID 29256511 DOI: 10.1038/Nchem.2853  0.34
2016 Bhattacharjee N, Feliks M, Shaik MM, Field MJ. Catalytic Mechanism of Peptidoglycan Deacetylase: A Computational Study. The Journal of Physical Chemistry. B. PMID 28026178 DOI: 10.1021/Acs.Jpcb.6B10625  0.412
2016 Feliks M, Lafaye C, Shu X, Royant A, Field M. Structural Determinants of Improved Fluorescence in a Family of Bacteriophytochrome-Based Infrared Fluorescent Proteins: Insights from Continuum Electrostatic Calculations and Molecular Dynamics Simulations. Biochemistry. PMID 27471775 DOI: 10.1021/Acs.Biochem.6B00295  0.372
2015 Feliks M, Field MJ. Pcetk: A pDynamo-based Toolkit for Protonation State Calculations in Proteins. Journal of Chemical Information and Modeling. 55: 2288-96. PMID 26391627 DOI: 10.1021/Acs.Jcim.5B00262  0.331
2013 Feliks M, Martins BM, Ullmann GM. 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. PMID 24028464 DOI: 10.1021/Ja402379Q  0.37
2012 Feliks M, Ullmann GM. 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. PMID 22626266 DOI: 10.1021/Jp301165B  0.388
2011 Martins BM, Blaser M, Feliks M, Ullmann GM, Buckel W, Selmer T. Structural basis for a Kolbe-type decarboxylation catalyzed by a glycyl radical enzyme Journal of the American Chemical Society. 133: 14666-14674. PMID 21823587 DOI: 10.1021/Ja203344X  0.311
2007 Grzywa R, Dyguda-Kazimierowicz E, Sieńczyk M, Feliks M, Sokalski WA, Oleksyszyn J. 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. PMID 17587094 DOI: 10.1007/S00894-007-0193-8  0.335
2007 Wang J, Gu J, Leszczynski J, Feliks M, Sokalski WA. Oxime-induced reactivation of sarin-inhibited AChE: a theoretical mechanisms study. The Journal of Physical Chemistry. B. 111: 2404-8. PMID 17298091 DOI: 10.1021/Jp067741S  0.311
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