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New and Original pKa Prediction Method Using Grid Molecular Interaction Fields.

, , , and . Journal of Chemical Information and Modeling, 47 (6): 2172-2181 (2007)

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Linear Algebra Computation Benchmarks on a Model Grid Platform., , , , , and . International Conference on Computational Science, volume 2658 of Lecture Notes in Computer Science, page 297-306. Springer, (2003)Computing Molecular Energy Surfaces on a Grid., , and . ICCSA (1), volume 3980 of Lecture Notes in Computer Science, page 675-683. Springer, (2006)Parallelization of a relativistic DFT code., , , , and . Future Gener. Comput. Syst., 20 (5): 739-747 (2004)Track finding mezzanine for Level-1 triggering in HL-LHC experiments., , , , , , , , , and 10 other author(s). MOCAST, page 1-4. IEEE, (2017)New and Original pKa Prediction Method Using Grid Molecular Interaction Fields., , , and . Journal of Chemical Information and Modeling, 47 (6): 2172-2181 (2007)BERTHA and PyBERTHA: State of the Art for Full Four-Component Dirac-Kohn-Sham Calculations., , and . PARCO, volume 36 of Advances in Parallel Computing, page 354-363. IOS Press, (2019)Chemical Characterization of Super-Heavy Elements by Relativistic Four-Component DFT., , and . PARCO, volume 19 of Advances in Parallel Computing, page 501-512. IOS Press, (2009)A cloud-based solution for public administrations: The experience of the Regione Marche., , , , , , , , , and 10 other author(s). CTS, page 493-499. IEEE, (2014)Tautomer Enumeration and Stability Prediction for Virtual Screening on Large Chemical Databases., , , , and . J. Chem. Inf. Model., 49 (1): 68-75 (2009)Automated Simulation of Gas-Phase Reactions on Distributed and Cloud Computing Infrastructures., , and . ICCSA (3), volume 10406 of Lecture Notes in Computer Science, page 60-73. Springer, (2017)