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Disambiguation of "Kast, Stefan M."

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The SAMPL5 challenge for embedded-cluster integral equation theory: solvation free energies, aqueous pK a, and cyclohexane-water log D.

, , , , , , , and . J. Comput. Aided Mol. Des., 30 (11): 1035-1044 (2016)

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Stefan Kast

Stefan Michael Kast

Stefan Michael Kast

Stefan Michael Kast

Stefan Michael Kast

 

Other publications of authors with the same name

The SAMPL6 challenge on predicting aqueous pK a values from EC-RISM theory., , , and . 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., , , , , and . J. Chem. Inf. Model., 57 (7): 1652-1666 (July 2017)SAMPL7 physical property prediction from EC-RISM theory., , and . J. Comput. Aided Mol. Des., 35 (8): 933-941 (2021)Ewald summation versus direct summation of shifted-force potentials for the calculation of electrostatic interactions in solids: A quantitative study., , , and . J. Comput. Chem., 18 (5): 660-676 (1997)The hpCADD NDDO Hamiltonian: Parametrization., , , , , , , and . J. Chem. Inf. Model., 57 (8): 1907-1922 (August 2017)The SAMPL5 challenge for embedded-cluster integral equation theory: solvation free energies, aqueous pK a, and cyclohexane-water log D., , , , , , , and . J. Comput. Aided Mol. Des., 30 (11): 1035-1044 (2016)Structure and thermodynamics of nonaqueous solvation by integral equation theory., , and . J. Cheminformatics, 4 (S-1): 6 (2012)Erratum to: Prediction of tautomer ratios by embedded-cluster integral equation theory., , , and . J. Comput. Aided Mol. Des., 24 (4): 355 (2010)Parametrization Strategy for the MolFESD Concept: Quantitative Surface Representation of Local Hydrophobicity., , and . Journal of Chemical Information and Computer Sciences, 43 (1): 237-247 (2003)Prediction of tautomer ratios by embedded-cluster integral equation theory., , , and . J. Comput. Aided Mol. Des., 24 (4): 343-353 (2010)