Molecular simulation methods to compute intrinsic aqueous solubility of crystalline drug-like molecules

Research output: Chapter in Book/Report/Conference proceedingChapter

LanguageEnglish
Title of host publicationComputational Pharmaceutical Solid State Chemistry
EditorsYuriy A. Abramov
Place of PublicationHoboken, NJ.
PublisherJohn Wiley & Sons Inc.
ISBN (Print)9781118700747
Publication statusPublished - 6 May 2016

Keywords

  • solubility
  • solid state
  • pharmaceutical
  • drug discovery
  • solvation free energy
  • hydration free energy
  • sublimation free energy

Cite this

Palmer, D. S., & Fedorov, M. V. (2016). Molecular simulation methods to compute intrinsic aqueous solubility of crystalline drug-like molecules. In Y. A. Abramov (Ed.), Computational Pharmaceutical Solid State Chemistry Hoboken, NJ.: John Wiley & Sons Inc..
Palmer, D. S. ; Fedorov, M.V. / Molecular simulation methods to compute intrinsic aqueous solubility of crystalline drug-like molecules. Computational Pharmaceutical Solid State Chemistry. editor / Yuriy A. Abramov. Hoboken, NJ. : John Wiley & Sons Inc., 2016.
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editor = "Abramov, {Yuriy A.}",
booktitle = "Computational Pharmaceutical Solid State Chemistry",
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Palmer, DS & Fedorov, MV 2016, Molecular simulation methods to compute intrinsic aqueous solubility of crystalline drug-like molecules. in YA Abramov (ed.), Computational Pharmaceutical Solid State Chemistry. John Wiley & Sons Inc., Hoboken, NJ.

Molecular simulation methods to compute intrinsic aqueous solubility of crystalline drug-like molecules. / Palmer, D. S.; Fedorov, M.V.

Computational Pharmaceutical Solid State Chemistry. ed. / Yuriy A. Abramov. Hoboken, NJ. : John Wiley & Sons Inc., 2016.

Research output: Chapter in Book/Report/Conference proceedingChapter

TY - CHAP

T1 - Molecular simulation methods to compute intrinsic aqueous solubility of crystalline drug-like molecules

AU - Palmer, D. S.

AU - Fedorov, M.V.

PY - 2016/5/6

Y1 - 2016/5/6

KW - solubility

KW - solid state

KW - pharmaceutical

KW - drug discovery

KW - solvation free energy

KW - hydration free energy

KW - sublimation free energy

UR - http://eu.wiley.com/WileyCDA/WileyTitle/productCd-1118700740,subjectCd-LS35.html

M3 - Chapter

SN - 9781118700747

BT - Computational Pharmaceutical Solid State Chemistry

A2 - Abramov, Yuriy A.

PB - John Wiley & Sons Inc.

CY - Hoboken, NJ.

ER -

Palmer DS, Fedorov MV. Molecular simulation methods to compute intrinsic aqueous solubility of crystalline drug-like molecules. In Abramov YA, editor, Computational Pharmaceutical Solid State Chemistry. Hoboken, NJ.: John Wiley & Sons Inc. 2016