NWChem: Exploiting parallelism in molecular simulations von Straatsma, T.P., Philippopoulos, M., McCammon, J.A.

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Analysis of a 10-ns Molecular Dynamics Simulation of Mouse Acetylcholinesterase von Tai, Kaihsu, Shen, Tongye, Börjesson, Ulf, Philippopoulos, Marios, McCammon, J. Andrew

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Exploring the dynamic information content of a protein NMR structure: Comparison of a molecular dynamics simulation with the NMR and X-ray structures of Escherichia coli ribonuclea... von Philippopoulos, Marios, Lim, Carmay

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Molecular dynamics simulation of E. coli ribonuclease H1 in solution: correlation with NMR and X-ray data and insights into biological function von Philippopoulos, M, Lim, C

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Exploring the Dynamic Information Content of a Protein NMR Structure: Comparison of a Molecular Dynamics Simulation With the NMR and X-Ray Structures of Escherichia coli Ribonuclea... von Philippopoulos, M, Lim, C

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Structural Characterization of the Phosphotyrosine Binding Region of a High-Affinity SH2 Domain−Phosphopeptide Complex by Molecular Dynamics Simulation and Chemical Shift Calculati... von Feng, Ming-Hsiang, Philippopoulos, Marios, MacKerell, Alexander D, Lim, Carmay

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Accuracy and precision of NMR relaxation experiments and MD simulations for characterizing protein dynamics von Philippopoulos, Marios, Mandel, Arthur M., Palmer III, Arthur G., Lim, Carmay

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Molecular dynamics simulation of E. coli ribonuclease H sub(1) in solution: Correlation with NMR and X-ray data and insights into biological function von Philippopoulos, M, Lim, C

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NWChem : Exploiting parallelism in molecular simulations: Parallel computing in chemical physics von STRAATSMA, T. P, PHILIPPOPOULOS, M, MCCAMMON, J. A

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Internal Motions in the Molecular Tumbling Regime. Effect on NMR Dipolar Cross-Relaxation and Interproton Distance Determination von Philippopoulos, Marios, Lim, Carmay

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Identifying the mechanism of protein loop closure: a molecular dynamics simulation of the Bacillus stearothermophilus LDH loop in solution von Philippopoulos, M, Xiang, Y, Lim, C

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Photochemical treatment of 2-chlorophenol aqueous solutions using ultraviolet radiation, hydrogen peroxide and photo-Fenton reaction von Poulopoulos, S.G., Nikolaki, M., Karampetsos, D., Philippopoulos, C.J.

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First-Row Transition Metal Complexes Incorporating the 2-(2′-pyridyl)quinoxaline Ligand (pqx), as Potent Inflammatory Mediators: Cytotoxic Properties and Biological Activities agai... von Margariti, Antigoni, Papakonstantinou, Vasiliki D., Stamatakis, George M., Demopoulos, Constantinos A., Machalia, Christina, Emmanouilidou, Evangelia, Schnakenburg, Gregor, Nika, Maria-Christina, Thomaidis, Nikolaos S., Philippopoulos, Athanassios I.

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Experiences of internationally educated nurses working with older adults: A scoping review protocol von Kokorelias, Kristina M, Saragosa, Marianne, Abdelhalim, Reham, Philippopoulos, Eleni, Vo, Ann

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Substituted pyridine-quinoline ligands as building blocks for neutral rhodium(III) complexes. Synthesis, structural characterization studies and anti-platelet activity towards the... von Margariti, Antigoni, Papakonstantinou, Vasiliki D., Stamatakis, George M., Demopoulos, Constantinos A., Schnakenburg, Gregor, Andreopoulou, Aikaterini K., Giannopoulos, Panagiotis, Kallitsis, Joannis K., Philippopoulos, Athanassios I.

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Synthesis, characterization of ((CH3)3S)2SnI6-nCln and ((CH3)3S)2SnI6-nBrn (n=1, 2) perovskites and use in dye-sensitized solar cells von Elsenety, Mohamed M., Antoniadou, Maria, Kaltzoglou, Andreas, Kontos, Athanassios G., Philippopoulos, Athanassios I., Mitsopoulou, Christiana A., Falaras, Polycarpos

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First reported case of Robinsoniella peoriensis pyometra and bloodstream infection: A case report and review of the literature von Mejia-Gomez, Javier, Zigras, Tiffany, Patel, Yashesh, Wolfman, Wendy, Philippopoulos, Eleni, Shaltout, Nada, Rotstein, Coleman, Laframboise, Stephane, Patel, Samir N., Kus, Julianne V., Poutanen, Susan M., Hosseini-Moghaddam, Seyed M.

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First-Row Transition Metal Complexes Incorporating the 2- and Thrombin von Margariti, Antigoni, Papakonstantinou, Vasiliki D, Stamatakis, George M, Demopoulos, Constantinos A, Machalia, Christina, Emmanouilidou, Evangelia, Schnakenburg, Gregor, Nika, Maria-Christina, Thomaidis, Nikolaos S, Philippopoulos, Athanassios I

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Volatility of apples during air and freeze drying von Krokida, M.K., Philippopoulos, C.

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Photochemical degradation of 1,3-dichloro-2-propanol aqueous solutions von Nikolaki, M.D., Philippopoulos, C.J.

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