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Sosnin, Sergey and Misin, Maksim and Palmer, David S. and Fedorov, Maxim V. (2018) 3D matters! 3D-RISM and 3D convolutional neural network for accurate bioaccumulation prediction. Journal of Physics: Condensed Matter, 30. 32LT03. ISSN 0953-8984
2016
Misin, Maksim and Vainikka, Petteri A. and Fedorov, Maxim V. and Palmer, David S. (2016) Salting-out effects by pressure-corrected 3D-RISM. Journal of Chemical Physics. ISSN 0021-9606 (In Press)
Misin, Maksim and Palmer, David S. and Fedorov, Maxim V. (2016) Predicting solvation free energies using parameter-free solvent models. Journal of Physical Chemistry B. ISSN 1520-6106
Misin, Maksim and Fedorov, Maxim V. and Palmer, David S. (2016) Hydration free energies of molecular ions from theory and simulation. Journal of Physical Chemistry B, 120 (5). pp. 975-983. ISSN 1520-6106
2015
Palmer, David S. and Misin, Maksim and Fedorov, Maxim V. and Llinas, Antonio (2015) Fast and general method to predict the physicochemical properties of druglike molecules using the integral equation theory of molecular liquids. Molecular Pharmaceutics, 12 (9). 3420–3432. ISSN 1543-8384
Misin, Maksim and Fedorov, Maxim V. and Palmer, David S. (2015) Accurate hydration free energies at a wide range of temperatures from 3D-RISM. Journal of Chemical Physics, 142 (9). 091105. ISSN 0021-9606