Jill E Gready
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Explore the profile of Jill E Gready including associated specialties, affiliations and a list of published articles.
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30
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1263
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Recent Articles
1.
Cummins P, Gready J
J Phys Chem B
. 2020 Mar;
124(15):3015-3026.
PMID: 32208706
Ribulose 1,5-bisphosphate (RuBP) carboxylase-oxygenase (Rubisco) plays a fundamental role in the carbon cycle by fixing the atmospheric CO used in photosynthesis. Rubisco is all the more remarkable because it must...
2.
Cummins P, Kannappan B, Gready J
Front Plant Sci
. 2019 Dec;
10:1426.
PMID: 31824523
No abstract available.
3.
Kannappan B, Cummins P, Gready J
J Phys Chem B
. 2019 Mar;
123(13):2833-2843.
PMID: 30845802
Ribulose 1,5-bisphosphate carboxylase-oxygenase (Rubisco) is the primary carbon-fixing enzyme in photosynthesis, fixing CO to a 5-carbon sugar, RuBP, in a series of five reactions. However, it also catalyzes an oxygenase...
4.
Cummins P, Kannappan B, Gready J
J Phys Chem B
. 2019 Feb;
123(12):2679-2686.
PMID: 30807177
In the carboxylation reaction catalyzed by ribulose 1,5-bisphosphate (RuBP) carboxylase-oxygenase (Rubisco), which is fundamental to photosynthesis, scission of a C-C bond in the six-carbon gemdiolate intermediate forms a carbanion that...
5.
Cummins P, Kannappan B, Gready J
J Comput Chem
. 2018 May;
39(21):1656-1665.
PMID: 29756365
Here, we describe a computational approach for studying enzymes that catalyze complex multi-step reactions and apply it to Ribulose 1,5-bisphosphate carboxylase-oxygenase (Rubisco), the enzyme that fixes atmospheric carbon dioxide within...
6.
Cummins P, Kannappan B, Gready J
Front Plant Sci
. 2018 Mar;
9:183.
PMID: 29545812
The ubiquitous enzyme Ribulose 1,5-bisphosphate carboxylase-oxygenase (RuBisCO) fixes atmospheric carbon dioxide within the Calvin-Benson cycle that is utilized by most photosynthetic organisms. Despite this central role, RuBisCO's efficiency surprisingly struggles,...
7.
Abraham M, Gready J
J Chem Theory Comput
. 2015 Dec;
4(7):1119-28.
PMID: 26636365
We address the question of constructing a protocol for replica-exchange molecular dynamics (REMD) simulations that make efficient use of the replica space, assess whether published applications are achieving such "mixing"...
8.
Cummins P, Rostov I, Gready J
J Chem Theory Comput
. 2015 Dec;
3(3):1203-11.
PMID: 26627439
We present a two-dimensional grid method for the calculation of complete free-energy surfaces for enzyme reactions using a hybrid quantum mechanical/molecular mechanical (QM/MM) potential within the semiempirical (PM3) QM approximation....
9.
Abraham M, Gready J
J Comput Chem
. 2011 Apr;
32(9):2031-40.
PMID: 21469158
Based on our critique of requirements for performing an efficient molecular dynamics simulation with the particle-mesh Ewald (PME) implementation in GROMACS 4.5, we present a computational tool to enable the...
10.
Alonso H, Cummins P, Gready J
J Phys Chem B
. 2009 Oct;
113(44):14787-96.
PMID: 19827815
Methyltetrahydrofolate:corrinoid/iron-sulfur protein methyltransferase (MeTr) catalyzes the transfer of the N5-methyl group from N5-methyltetrahydrofolate (CH(3)THF) to the cobalt center of a corrinoid/iron-sulfur protein, a reaction similar to that of cobalamin-dependent methionine...