Solvation thermodynamics of organic molecules by the molecular integral equation theory: approaching chemical accuracy

Ekaterina L. Ratkova, David S. Palmer, Maxim V. Fedorov

Research output: Contribution to journal › Literature review › peer-review

162 Citations (Scopus)

338 Downloads (Pure)

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IETSOL: CALCULATION OF PHARMACOKINETIC PROPERTIES OF DRUGLIKE MOLECULES USING INTEGRAL EQUATION THEORY
Palmer, D. (Principal Investigator) & Fedorov, M. (Principal Investigator)
1/02/12 → 31/01/14
Project: Research Fellowship
Novel Methods to Calculate Hydration Thermodynamic Parameters for Pharmaceutical and Pollutant Molecules
Palmer, D. (Principal Investigator) & Fedorov, M. (Principal Investigator)
1/01/11 → 31/10/11
Project: Internally funded project

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