CALCULATION OF PHARMACOKINETIC PROPERTIES OF DRUGLIKE MOLECULES USING INTEGRAL EQUATION THEORY

Research Output

Research Output per year

2013 2016

• 2 Article
• 1 Poster
• 1 Speech
• 1 Literature review

Research Output per year

Research Output per year

Search results

• 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

  • Free energy
  • Hydration
  • Ions
  • Water
  41 Citations (Scopus)

  99 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

  • Solvation
  • Integral equations
  • Molecules
  • Thermodynamics
  • Physical chemistry
  111 Citations (Scopus)

  219 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
  55 Citations (Scopus)

  92 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  Palmer, D., 15 Nov 2013, (Unpublished).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