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Quantifying mineral surface energy by scanning force microscopy.
Sauerer B, Stukan M, Abdallah W, Derkani MH, Fedorov M, Buiting J, Zhang ZJ. Sauerer B, et al. Among authors: fedorov m. J Colloid Interface Sci. 2016 Jun 15;472:237-46. doi: 10.1016/j.jcis.2016.03.049. Epub 2016 Mar 23. J Colloid Interface Sci. 2016. PMID: 27054773 Free article.
Salting-out effects by pressure-corrected 3D-RISM.
Misin M, Vainikka PA, Fedorov MV, Palmer DS. Misin M, et al. Among authors: fedorov mv. J Chem Phys. 2016 Nov 21;145(19):194501. doi: 10.1063/1.4966973. J Chem Phys. 2016. PMID: 27875866
Fast and General Method To Predict the Physicochemical Properties of Druglike Molecules Using the Integral Equation Theory of Molecular Liquids.
Palmer DS, Mišin M, Fedorov MV, Llinas A. Palmer DS, et al. Among authors: fedorov mv. Mol Pharm. 2015 Sep 8;12(9):3420-32. doi: 10.1021/acs.molpharmaceut.5b00441. Epub 2015 Aug 6. Mol Pharm. 2015. PMID: 26212723 Free article.
These functions can be obtained in a matter of minutes for most small organic and druglike molecules using existing software (RISM-MOL) (Sergiievskyi, V. P.; Hackbusch, W.; Fedorov, M. V. J. Comput. Chem. 2011, 32, 1982-1992). Predictions of caco-2 cell permeability …
These functions can be obtained in a matter of minutes for most small organic and druglike molecules using existing software (RISM-MOL) (Ser …
178 results