Publications by authors named "Peter L Cummins"

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The Coevolution of RuBisCO, Photorespiration, and Carbon Concentrating Mechanisms in Higher Plants.
Peter L Cummins

Front Plant Sci· September 2021

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Kohn-Sham Density Functional Calculations Reveal Proton Wires in the Enolization and Carboxylase Reactions Catalyzed by Rubisco.
Peter L Cummins, Jill E Gready

J Phys Chem B· April 2020

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Response: Commentary: Directions for Optimization of Photosynthetic Carbon Fixation: RuBisCO's Efficiency May Not Be So Constrained After All.
Peter L Cummins, Babu Kannappan, Jill E Gready

Front Plant Sci· November 2019

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Mechanism of Oxygenase-Pathway Reactions Catalyzed by Rubisco from Large-Scale Kohn-Sham Density Functional Calculations.
Babu Kannappan, Peter L Cummins, Jill E Gready

J Phys Chem B· April 2019

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Ab Initio Molecular Dynamics Simulation and Energetics of the Ribulose-1,5-biphosphate Carboxylation Reaction Catalyzed by Rubisco: Toward Elucidating the Stereospecific Protonation Mechanism.
Peter L Cummins, Babu Kannappan, Jill E Gready

J Phys Chem B· March 2019

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Revised mechanism of carboxylation of ribulose-1,5-biphosphate by rubisco from large scale quantum chemical calculations.
Peter L Cummins, Babu Kannappan, Jill E Gready

J Comput Chem· August 2018

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Directions for Optimization of Photosynthetic Carbon Fixation: RuBisCO's Efficiency May Not Be So Constrained After All.
Peter L Cummins, Babu Kannappan, Jill E Gready

Front Plant Sci· March 2018

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Methyltetrahydrofolate:corrinoid/iron-sulfur protein methyltransferase (MeTr): protonation state of the ligand and active-site residues.
Hernán Alonso, Peter L Cummins, Jill E Gready

J Phys Chem B· November 2009

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Calculation of a Complete Enzymic Reaction Surface:  Reaction and Activation Free Energies for Hydride-Ion Transfer in Dihydrofolate Reductase.
Peter L Cummins, Ivan V Rostov, Jill E Gready

J Chem Theory Comput· May 2007

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Computational methods for the study of enzymic reaction mechanisms III: a perturbation plus QM/MM approach for calculating relative free energies of protonation.
Peter L Cummins, Jill E Gready

J Comput Chem· April 2005

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Multiple ligand-binding modes in bacterial R67 dihydrofolate reductase.
Hernán Alonso, Malcolm B Gillies, Peter L Cummins, Andrey A Bliznyuk, Jill E Gready

J Comput Aided Mol Des· March 2005

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Conformation of prion protein repeat peptides probed by FRET measurements and molecular dynamics simulations.
Marsia Gustiananda, John R Liggins, Peter L Cummins, Jill E Gready

Biophys J· April 2004

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Comparison of linear-scaling semiempirical methods and combined quantum mechanical/molecular mechanical methods for enzymic reactions. II. An energy decomposition analysis.
Stephen J Titmuss, Peter L Cummins, Alistair P Rendell, Andrey A Bliznyuk, Jill E Gready

J Comput Chem· November 2002

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