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Currently displaying 19221 - 19240 of 30857 publications

Evaluation of the performance of 3D virtual screening protocols: RMSD comparisons, enrichment assessments, and decoy selection - What can we learn from earlier mistakes?

J Kirchmair, P Markt, S Distinto, G Wolber, T Langer

J Comput Aided Mol Des

(2008)

213

(doi: 10.1007/s10822-007-9163-6)

Determination of the Transition State Ensemble for the Folding of Ubiquitin from a Combination of Φ and Ψ Analyses

P Várnai, CM Dobson, M Vendruscolo

Journal of molecular biology

(2008)

377

575

(doi: 10.1016/j.jmb.2008.01.012)

Synthesis, structure and the binding properties of the amide-based anion receptors derived from 1H-indole-7-amine

T Zieliński, P Dydio, J Jurczak

Tetrahedron

(2008)

568

(doi: 10.1016/j.tet.2007.11.012)

A new Fe-II quaterpyridyl M4L6 tetrahedron exhibiting selective anion binding

CRK Glasson, GV Meehan, JK Clegg, LF Lindoy, P Turner, MB Duriska, R Willis

Chem Commun (Camb)

(2008)

1190

(doi: 10.1039/b717740b)

Shear induced alignment of kaolinite: Studies using a diffraction technique

ABD Brown, SM Clarke, AR Rennie

Progress in Colloid and Polymer Science

(2008)

110

(doi: 10.1007/bfb0118054)

Poly[[mu(2)-aqua-tetraaquahexakis(mu(4)-naphthalene-2,6-dicarboxylato)tetraholmium(III)] 1.75-hydrate]

FA Almeida Paz, J Klinowski

Acta Crystallographica Section E Structure Reports Online

(2008)

m336

(doi: 10.1107/s1600536808000378)

Understanding molecular simulation: From algorithms to applications

D Frenkel, B Smit, MA Ratner

Physics Today

(2008)

(doi: 10.1063/1.881812)

Fischer−Tropsch Mechanism Revisited: Alternative Pathways for the Production of Higher Hydrocarbons from Synthesis Gas

OR Inderwildi, SJ Jenkins, DA King

The Journal of Physical Chemistry C

(2008)

112

1305

(doi: 10.1021/jp710674q)

Transition from highly to fully stretched polymer brushes in good solvent.

I Coluzza, J-P Hansen

Physical review letters

(2008)

100

016104

(doi: 10.1103/physrevlett.100.016104)

Tuning the Structural and Physical Properties of Cr2Ti3Se8 by Lithium Intercalation: A Study of the Magnetic Properties, Investigation of Ion Mobility with NMR Spectroscopy and Electronic Band Structure Calculations

J Wontcheu, W Bensch, M Wilkening, P Heitjans, S Indris, P Sideris, CP Grey, S Mankovsky, H Ebert

J Am Chem Soc

(2008)

130

{288-299}

(doi: 10.1021/ja076082+)