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3D-QSAR Based on Quantum-Chemical Molecular Fields: Toward an Improved Description of Halogen Interactions., , , , , и . Journal of Chemical Information and Modeling, 52 (9): 2441-2453 (2012)Erratum to: Prediction of tautomer ratios by embedded-cluster integral equation theory., , , и . J. Comput. Aided Mol. Des., 24 (4): 355 (2010)Prediction of tautomer ratios by embedded-cluster integral equation theory., , , и . J. Comput. Aided Mol. Des., 24 (4): 343-353 (2010)The SAMPL5 challenge for embedded-cluster integral equation theory: solvation free energies, aqueous pK a, and cyclohexane-water log D., , , , , , , и . J. Comput. Aided Mol. Des., 30 (11): 1035-1044 (2016)The hpCADD NDDO Hamiltonian: Parametrization., , , , , , , и . J. Chem. Inf. Model., 57 (8): 1907-1922 (августа 2017)The SAMPL6 challenge on predicting aqueous pK a values from EC-RISM theory., , , и . J. Comput. Aided Mol. Des., 32 (10): 1151-1163 (2018)Thermodynamic Characterization of Hydration Sites from Integral Equation-Derived Free Energy Densities: Application to Protein Binding Sites and Ligand Series., , , , , и . J. Chem. Inf. Model., 57 (7): 1652-1666 (июля 2017)SAMPL7 physical property prediction from EC-RISM theory., , и . J. Comput. Aided Mol. Des., 35 (8): 933-941 (2021)'ValleyScan': A new two-bond drive technique for the calculation of potential energy surfaces with less computational effort., , и . J. Comput. Aided Mol. Des., 6 (5): 505-512 (1992)Quantum-mechanical property prediction of solvated drug molecules: what have we learned from a decade of SAMPL blind prediction challenges?, , , , , и . J. Comput. Aided Mol. Des., 35 (4): 453-472 (2021)