Experimental determination of van der Waals energies in a biological system

Martin A. Wear, Daphne Kan, Amir Rabu, Malcolm D. Walkinshaw

Research output: Contribution to journalArticle

13 Citations (Scopus)

Abstract

(Chemical Equation Presented) Gaze into the crystal: A crystallographic approach for determining and analyzing free energy not only provides a way of measuring binding energy, it also provides a detailed picture identifying, at the atomic level, which interactions are responsible for changes in binding affinity (picture: superposition of dipeptide-cyclophilin 3 structures; W e-h are conserved water molecules e-h).

Original languageEnglish
Pages (from-to)6453-6456
Number of pages4
JournalAngewandte Chemie - International Edition
Volume46
Issue number34
DOIs
Publication statusPublished - 2007
Externally publishedYes

Fingerprint

Cyclophilins
Dipeptides
Biological systems
Binding energy
Free energy
Crystals
Molecules
Water

Keywords

  • Cyclophilin
  • Inhibitors
  • Noncovalent interactions
  • Van der Waals energies
  • X-ray diffraction

ASJC Scopus subject areas

  • Chemistry(all)

Cite this

Experimental determination of van der Waals energies in a biological system. / Wear, Martin A.; Kan, Daphne; Rabu, Amir; Walkinshaw, Malcolm D.

In: Angewandte Chemie - International Edition, Vol. 46, No. 34, 2007, p. 6453-6456.

Research output: Contribution to journalArticle

Wear, Martin A. ; Kan, Daphne ; Rabu, Amir ; Walkinshaw, Malcolm D. / Experimental determination of van der Waals energies in a biological system. In: Angewandte Chemie - International Edition. 2007 ; Vol. 46, No. 34. pp. 6453-6456.
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