Field MJ - Search Results

1

pDynamo3 Molecular Modeling and Simulation Program.

Field MJ. Field MJ. J Chem Inf Model. 2022 Dec 12;62(23):5849-5854. doi: 10.1021/acs.jcim.2c01239. Epub 2022 Nov 30. J Chem Inf Model. 2022. PMID: 36449463

2

Modeling the Hydrolysis of Iron-Sulfur Clusters.

Teixeira MH, Curtolo F, Camilo SRG, Field MJ, Zheng P, Li H, Arantes GM. Teixeira MH, et al. Among authors: field mj. J Chem Inf Model. 2020 Feb 24;60(2):653-660. doi: 10.1021/acs.jcim.9b00881. Epub 2019 Dec 16. J Chem Inf Model. 2020. PMID: 31790241

3

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

4

The pDynamo Program for Molecular Simulations using Hybrid Quantum Chemical and Molecular Mechanical Potentials.

Field MJ. Field MJ. J Chem Theory Comput. 2008 Jul;4(7):1151-61. doi: 10.1021/ct800092p. J Chem Theory Comput. 2008. PMID: 26636368

5

Technical advances in molecular simulation since the 1980s.

Field MJ. Field MJ. Arch Biochem Biophys. 2015 Sep 15;582:3-9. doi: 10.1016/j.abb.2015.03.005. Epub 2015 Mar 13. Arch Biochem Biophys. 2015. PMID: 25772387 Review.

6

Density Fitting for QC/MM Interactions.

Field MJ. Field MJ. J Phys Chem A. 2022 Sep 15;126(36):6348-6357. doi: 10.1021/acs.jpca.2c05655. Epub 2022 Aug 31. J Phys Chem A. 2022. PMID: 36044778

7

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

8

Electrocatalytic Hydrogen Evolution with a Cobalt Complex Bearing Pendant Proton Relays: Acid Strength and Applied Potential Govern Mechanism and Stability.

Queyriaux N, Sun D, Fize J, Pécaut J, Field MJ, Chavarot-Kerlidou M, Artero V. Queyriaux N, et al. Among authors: field mj. J Am Chem Soc. 2020 Jan 8;142(1):274-282. doi: 10.1021/jacs.9b10407. Epub 2019 Dec 19. J Am Chem Soc. 2020. PMID: 31760743

9

An Algorithm for Adaptive QC/MM Simulations.

Field MJ. Field MJ. J Chem Theory Comput. 2017 May 9;13(5):2342-2351. doi: 10.1021/acs.jctc.7b00099. Epub 2017 Apr 6. J Chem Theory Comput. 2017. PMID: 28383263

10

A comparative QM/MM simulation study of the reaction mechanisms of human and Plasmodium falciparum HG(X)PRTases.

Thomas A, Field MJ. Thomas A, et al. Among authors: field mj. J Am Chem Soc. 2006 Aug 9;128(31):10096-102. doi: 10.1021/ja060823+. J Am Chem Soc. 2006. PMID: 16881638

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