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A critical review of statistical calibration/prediction models handling data inconsistency and model inadequacy.
- Published in:
- AIChE Journal, 2017, v. 63, n. 10, p. 4642, doi. 10.1002/aic.15781
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- Article
Molecular Simulations with in-deMon2k QM/MM, a Tutorial-Review †.
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- Molecules, 2019, v. 24, n. 9, p. 1653, doi. 10.3390/molecules24091653
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- Article
QM/MM Calculations with deMon2k.
- Published in:
- Molecules, 2015, v. 20, n. 3, p. 4780, doi. 10.3390/molecules20034780
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- Article
Secondary structure assignment that accurately reflects physical and evolutionary characteristics.
- Published in:
- BMC Bioinformatics, 2005, v. 6, p. S8, doi. 10.1186/1471-2105-6-S4-S8
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- Article
Calibration of forcefields for molecular simulation: Sequential design of computer experiments for building cost-efficient kriging metamodels.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 2, p. 130, doi. 10.1002/jcc.23475
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- Article
Current status of deMon2k for the investigation of the early stages of matter irradiation by time-dependent DFT approaches.
- Published in:
- European Physical Journal: Special Topics, 2023, v. 232, n. 13, p. 2167, doi. 10.1140/epjs/s11734-023-00905-6
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- Article