Optimization of parameters for molecular dynamics simulation using smooth particle-mesh Ewald in GROMACS 4.5 von Abraham, Mark J., Gready, Jill E.

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The C‐type lectin‐like domain superfamily von Zelensky, Alex N, Gready, Jill E

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Combining docking and molecular dynamic simulations in drug design von Alonso, Hernán, Bliznyuk, Andrey A., Gready, Jill E.

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

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

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

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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 Protonatio... von Cummins, Peter L, Kannappan, Babu, Gready, Jill E

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

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

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Ensuring Mixing Efficiency of Replica-Exchange Molecular Dynamics Simulations von Abraham, Mark J, Gready, Jill E

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Redefinition of Rubisco Carboxylase Reaction Reveals Origin of Water for Hydration and New Roles for Active-Site Residues von Kannappan, Babu, Gready, Jill E

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Comparative analysis of structural properties of the C-type-lectin-like domain (CTLD) von Zelensky, Alex N., Gready, Jill E.

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C-type lectin-like domains in Fugu rubripes von Zelensky, Alex N, Gready, Jill E

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Identification of Active-Site Residues of the Pro-Metastatic Endoglycosidase Heparanase von Hulett, Mark D, Hornby, June R, Ohms, Stephen J, Zuegg, Johannes, Freeman, Craig, Gready, Jill E, Parish, Christopher R

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Shadoo, a new protein highly conserved from fish to mammals and with similarity to prion protein von Premzl, Marko, Sangiorgio, Lorenzo, Strumbo, Bice, Marshall Graves, Jennifer A, Simonic, Tatjana, Gready, Jill E

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Integron-sequestered dihydrofolate reductase: a recently redeployed enzyme von Alonso, Hernán, Gready, Jill E.

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Putative Functional Role for the Invariant Aspartate 263 Residue of Rhodospirillum rubrum Rubisco von Liggins, John R, Gready, Jill E

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Synthesis of quaternised 2-aminopyrimido[4,5- d]pyrimidin-4(3 H)-ones and their biological activity with dihydrofolate reductase von Gebauer, Markus G, McKinlay, Carolyn, Gready, Jill E

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Conformation of Prion Protein Repeat Peptides Probed by FRET Measurements and Molecular Dynamics Simulations von Gustiananda, Marsia, Liggins, John R., Cummins, Peter L., Gready, Jill E.

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Methyltetrahydrofolate:corrinoid/iron−sulfur Protein Methyltransferase (MeTr): Protonation State of the Ligand and Active-Site Residues von Alonso, Hernán, Cummins, Peter L, Gready, Jill E

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