Computation of drug solvation free energy in supercritical CO2: Alternatives to all-atom computer simulations

NN Kalikin, YA Budkov, AL Kolesnikov, DV Ivlev… - Fluid Phase …, 2021 - Elsevier
Despite the modern level of development of computational chemistry methods and
technological progress, fast and accurate determination of solvation free energy remains a …
被引用次数：3 相关文章

Computation of drug solvation free energy in supercritical CO: Alternatives to all-atom computer simulations

NN Kalikin, YA Budkov, AL Kolesnikov… - Fluid Phase …, 2021 - ui.adsabs.harvard.edu
Despite the modern level of development of computational chemistry methods and
technological progress, fast and accurate determination of solvation free energy remains a …

[引用][C] Computation of drug solvation free energy in supercritical CO2: Alternatives to all-atom computer simulations

NN Kalikin, YA Budkov, DV Ivlev, MA Krestyaninov… - Fluid Phase …, 2021 - elibrary.ru
The research was funded by the Ministry of Science and Higher Education of the Russian
Federation (grant no. RFMEFI616180097). This research was done on the supercomputer …

Computation of drug solvation free energy in supercritical CO2: alternatives to all-atom computer simulations

NN Kalikin, YA Budkov, AL Kolesnikov, DV Ivlev… - arXiv preprint arXiv …, 2021 - arxiv.org
Despite the modern level of development of computational chemistry methods and techno-
logical progress, fast and accurate determination of solvation free energy remains a huge …

Computation of drug solvation free energy in supercritical CO2: alternatives to all-atom computer simulations

NN Kalikin, YA Budkov, AL Kolesnikov… - arXiv e …, 2021 - ui.adsabs.harvard.edu
Despite the modern level of development of computational chemistry methods and techno-
logical progress, fast and accurate determination of solvation free energy remains a huge …