CALCULATION OF PHARMACOKINETIC PROPERTIES OF DRUGLIKE MOLECULES USING INTEGRAL EQUATION THEORY

Project: Research Fellowship

2016
Hydration free energies of molecular ions from theory and simulation
Misin, M., Fedorov, M. V. & Palmer, D. S., 11 Feb 2016, In: Journal of Physical Chemistry B. 120, 5, p. 975-983 9 p.
Research output: Contribution to journal › Article › peer-review

Open Access
File
48 Citations (Scopus)

107 Downloads (Pure)
2015
Solvation thermodynamics of organic molecules by the molecular integral equation theory: approaching chemical accuracy
Ratkova, E. L., Palmer, D. S. & Fedorov, M. V., 2015, In: Chemical Reviews. 115, 13, p. 6312–6356 45 p.
Research output: Contribution to journal › Literature review › peer-review

Open Access
File
120 Citations (Scopus)

244 Downloads (Pure)
2014

Is experimental data quality the limiting factor in predicting the aqueous solubility of druglike molecules?
Palmer, D. S. & Mitchell, J. B. O., 4 Aug 2014, In: Molecular Pharmaceutics. 11, 8, p. 2962–2972 11 p.
Research output: Contribution to journal › Article › peer-review

Open Access
File

58 Citations (Scopus)

97 Downloads (Pure)
2013

Computing intrinsic aqueous solubility of crystalline organic molecules
Palmer, D. & Fedorov, M., 4 Sep 2013.
Research output: Contribution to conference › Speech
Protein modelling using molecular integral equation theory: applications to chymosin—κ-casein complexes
Palmer, D., 15 Nov 2013, (Unpublished).
Research output: Contribution to conference › Poster

Research output