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Continuous Wavelet Transform Applied to Removing the Fluctuating Background in Near-Infrared Spectra., и . Journal of Chemical Information and Modeling, 44 (3): 907-911 (2004)Impact of different potentials on the structures and energies of clusters., , и . J. Comput. Chem., 32 (14): 3075-3080 (2011)Hyperactive Antifreeze Proteins Promote Ice Growth before Binding to It., , , и . J. Chem. Inf. Model., 62 (21): 5165-5174 (2022)BFEE: A User-Friendly Graphical Interface Facilitating Absolute Binding Free-Energy Calculations., , , , , и . J. Chem. Inf. Model., 58 (3): 556-560 (2018)Selecting significant genes by randomization test for cancer classification using gene expression data., , и . J. Biomed. Informatics, 46 (4): 594-601 (2013)Explainable Graph Neural Networks with Data Augmentation for Predicting pKa of C-H Acids., , , и . J. Chem. Inf. Model., 64 (7): 2383-2392 (2024)Achieving Accurate Standard Protein-Protein Binding Free Energy Calculations through the Geometrical Route and Ergodic Sampling., , , и . J. Chem. Inf. Model., 63 (8): 2512-2519 (апреля 2023)A variable selection method based on uninformative variable elimination for multivariate calibration of near-infrared spectra, , и . Chemometrics and Intelligent Laboratory Systems, 90 (2): 188-194 (2008)Modulation of membrane permeability by carbon dioxide., , , , и . J. Comput. Chem., 41 (5): 421-426 (2020)A dynamic lattice searching method with interior operation for unbiased optimization of large Lennard-Jones clusters., , и . J. Comput. Chem., 29 (11): 1772-1779 (2008)