Field MJ - Search Results

1

Negative Impact of Carbapenem Methylation on the Reactivity of β-Lactams for Cysteine Acylation as Revealed by Quantum Calculations and Kinetic Analyses.

Bhattacharjee N, Triboulet S, Dubée V, Fonvielle M, Edoo Z, Hugonnet JE, Ethève-Quelquejeu M, Simorre JP, Field MJ, Arthur M, Bougault CM. Bhattacharjee N, et al. Among authors: field mj. Antimicrob Agents Chemother. 2019 Mar 27;63(4):e02039-18. doi: 10.1128/AAC.02039-18. Print 2019 Apr. Antimicrob Agents Chemother. 2019. PMID: 30718252 Free PMC article.

2

Characterization of the divalent metal binding site of bacterial polysaccharide deacetylase using crystallography and quantum chemical calculations.

Shaik MM, Bhattacharjee N, Bhattacharjee A, Field MJ, Zanotti G. Shaik MM, et al. Among authors: field mj. Proteins. 2014 Jul;82(7):1311-8. doi: 10.1002/prot.24497. Epub 2014 Jan 15. Proteins. 2014. PMID: 24346839

3

Hybrid Potential Simulation of the Acylation of Enterococcus faecium l,d-Transpeptidase by Carbapenems.

Bhattacharjee N, Field MJ, Simorre JP, Arthur M, Bougault CM. Bhattacharjee N, et al. Among authors: field mj. J Phys Chem B. 2016 Jun 2;120(21):4767-81. doi: 10.1021/acs.jpcb.6b02836. Epub 2016 May 19. J Phys Chem B. 2016. PMID: 27196382

4

Catalytic Mechanism of Peptidoglycan Deacetylase: A Computational Study.

Bhattacharjee N, Feliks M, Shaik MM, Field MJ. Bhattacharjee N, et al. Among authors: field mj. J Phys Chem B. 2017 Jan 12;121(1):89-99. doi: 10.1021/acs.jpcb.6b10625. Epub 2016 Dec 27. J Phys Chem B. 2017. PMID: 28026178

5

Norovirus RNA-dependent RNA polymerase: A computational study of metal-binding preferences.

Shaik MM, Bhattacharjee N, Feliks M, Ng KK, Field MJ. Shaik MM, et al. Among authors: field mj. Proteins. 2017 Aug;85(8):1435-1445. doi: 10.1002/prot.25304. Epub 2017 Apr 22. Proteins. 2017. PMID: 28383118

6

Understanding the acylation mechanisms of active-site serine penicillin-recognizing proteins: a molecular dynamics simulation study.

Oliva M, Dideberg O, Field MJ. Oliva M, et al. Among authors: field mj. Proteins. 2003 Oct 1;53(1):88-100. doi: 10.1002/prot.10450. Proteins. 2003. PMID: 12945052

7

Pcetk: A pDynamo-based Toolkit for Protonation State Calculations in Proteins.

Feliks M, Field MJ. Feliks M, et al. Among authors: field mj. J Chem Inf Model. 2015 Oct 26;55(10):2288-96. doi: 10.1021/acs.jcim.5b00262. Epub 2015 Oct 4. J Chem Inf Model. 2015. PMID: 26391627

8

Ferric-Thiolate Bond Dissociation Studied with Electronic Structure Calculations.

Arantes GM, Field MJ. Arantes GM, et al. Among authors: field mj. J Phys Chem A. 2015 Oct 1;119(39):10084-90. doi: 10.1021/acs.jpca.5b05658. Epub 2015 Sep 18. J Phys Chem A. 2015. PMID: 26351881

9

Insights into the phosphoryl-transfer mechanism of cAMP-dependent protein kinase from quantum chemical calculations and molecular dynamics simulations.

Díaz N, Field MJ. Díaz N, et al. Among authors: field mj. J Am Chem Soc. 2004 Jan 21;126(2):529-42. doi: 10.1021/ja037277u. J Am Chem Soc. 2004. PMID: 14719950

10

Photoswitching mechanism of a fluorescent protein revealed by time-resolved crystallography and transient absorption spectroscopy.

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, Macheboeuf P, Motomura K, Nass K, Owada S, Roome CM, Ruckebusch C, Schirò G, Shoeman RL, Thepaut M, Togashi T, Tono K, Yabashi M, Cammarata M, Foucar L, Bourgeois D, Sliwa M, Colletier JP, Schlichting I, Weik M. Woodhouse J, et al. Nat Commun. 2020 Feb 6;11(1):741. doi: 10.1038/s41467-020-14537-0. Nat Commun. 2020. PMID: 32029745 Free PMC article.

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