Maxim Fedorov
Affiliations: | Physics | University of Strathclyde, Glasgow, Scotland, United Kingdom |
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Publications
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| Osipenko S, Bashkirova I, Sosnin S, et al. (2020) Machine learning to predict retention time of small molecules in nano-HPLC. Analytical and Bioanalytical Chemistry |
| Subramanian V, Ratkova E, Palmer DS, et al. (2020) Multi-Solvent Models for Solvation Free Energy Predictions using 3D-RISM Hydration Thermodynamic Descriptors. Journal of Chemical Information and Modeling |
| Shadrin D, Pukalchik M, Kovaleva E, et al. (2020) Artificial intelligence models to predict acute phytotoxicity in petroleum contaminated soils. Ecotoxicology and Environmental Safety. 194: 110410 |
| Ers H, Lembinen M, Mišin M, et al. (2020) Graphene–Ionic Liquid Interfacial Potential Drop from Density Functional Theory-Based Molecular Dynamics Simulations The Journal of Physical Chemistry C. 124: 19548-19555 |
| Sosnin S, Vashurina M, Withnall M, et al. (2018) A Survey of Multi-Task Learning Methods in Chemoinformatics. Molecular Informatics |
| Sosnin S, Misin M, Palmer DS, et al. (2018) 3D matters! 3D-RISM and 3D convolutional neural network for accurate bioaccumulation prediction. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 30: 32LT03 |
| Misin M, Vainikka PA, Fedorov MV, et al. (2016) Salting-out effects by pressure-corrected 3D-RISM. The Journal of Chemical Physics. 145: 194501 |
| Misin M, Palmer DS, Fedorov MV. (2016) Predicting Solvation Free Energies Using Parameter-Free Solvent Models. The Journal of Physical Chemistry. B. 120: 5724-31 |
| Sauerer B, Stukan M, Abdallah W, et al. (2016) Quantifying mineral surface energy by scanning force microscopy. Journal of Colloid and Interface Science. 472: 237-246 |
| Misin M, Fedorov MV, Palmer DS. (2016) Hydration Free Energies of Molecular Ions from Theory and Simulation. The Journal of Physical Chemistry. B. 120: 975-83 |