✦ LIBER ✦

Impact of X-Ray Structure on Predictivity of Scoring Functions: PPARγ Case Study

✍ Scribed by Julia Weber; Matthias Rupp; Ewgenij Proschak

Book ID: 115560076
Publisher: Wiley (John Wiley & Sons)
Year: 2012
Tongue: English
Weight: 441 KB
Volume: 31
Category: Article
ISSN: 1868-1743
DOI: 10.1002/minf.201200040

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

The structure of vanadium oxide species

The structure of vanadium oxide species on γ-alumina; an in situ X-ray absorption study during catalytic oxidation

✍ M. Ruitenbeek; A.J. van Dillen; F.M.F. de Groot; I.E. Wachs; J.W. Geus; D.C. Kon 📂 Article 📅 2000 🏛 Springer 🌐 English ⚖ 225 KB

X-ray Structural Analysis for the Predic

X-ray Structural Analysis for the Prediction on the Nature of the Retro Diels–Alder Pathway: Concerted or Stepwise. Structural Studies on Nitrosobenzene Cycloadducts

✍ Roth-Barton, Jesse; White, Jonathan M. 📂 Article 📅 2009 🏛 Commonwealth Scientific and Industrial Research Or 🌐 English ⚖ 259 KB

ChemInform Abstract: Prediction of Enzym

ChemInform Abstract: Prediction of Enzyme Binding: Human Thrombin Inhibition Study by Quantum Chemical and Artificial Intelligence Methods Based on X-Ray Structures.

✍ G. Mlinsek; M. Novic; M. Hodoscek; T. Solmajer 📂 Article 📅 2010 🏛 John Wiley and Sons ⚖ 26 KB 👁 1 views

## Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable v

Atom Assignment in Solid-State Structure

Atom Assignment in Solid-State Structures on the Basis of X-ray Crystallography and DFT Calculations – A Case Study on a Molecular Cu–Sb Alloy

✍ Reinhart Ahlrichs; Dieter Fenske; Alexander Rothenberger; Claudia Schrodt; Steph 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 107 KB

Density functional theory study of the n

Density functional theory study of the near edge X-ray absorption fine structure and infrared spectroscopy of acetylene and benzene on group IV semiconductor surfaces

✍ Frans A. Asmuruf; Nicholas A. Besley 📂 Article 📅 2009 🏛 Elsevier Science 🌐 English ⚖ 483 KB

Structural investigations of three triaz

Structural investigations of three triazines: solution-state NMR studies of internal rotation and structural information from solid-state NMR, plus a full structure determination from powder x-ray diffraction in one case

✍ Helen E. Birkett; Julian C. Cherryman; A. Margaret Chippendale; John S. O. Evans 📂 Article 📅 2003 🏛 John Wiley and Sons 🌐 English ⚖ 580 KB

## Abstract Three model 2,4,6‐tris(amino)‐1,3,5‐triazines, structurally related to a dyestuff molecule previously studied by NMR, were synthesized in order to enable the effects of rotamer exchange on the NMR spectra to be investigated in more detail. Two of the compounds are novel. Internal rotati