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Currently displaying 16721 - 16740 of 29680 publications

Critical comparison of virtual screening methods against the MUV data set.

P Tiikkainen, P Markt, G Wolber, J Kirchmair, S Distinto, A Poso, O Kallioniemi

Journal of Chemical Information and Modeling

(2009)

2168

(doi: 10.1021/ci900249b)

Simultaneous determination of gene expression and enzymatic activity in individual bacterial cells in microdroplet compartments

J-U Shim, LF Olguin, G Whyte, D Scott, A Babtie, C Abell, WTS Huck, F Hollfelder

J Am Chem Soc

(2009)

131

15251

(doi: 10.1021/ja904823z)

Form leading to function

OA Scherman

Nature Chemistry

(2009)

524

(doi: 10.1038/nchem.387)

PLUMED: A portable plugin for free-energy calculations with molecular dynamics

M Bonomi, D Branduardi, G Bussi, C Camilloni, D Provasi, P Raiteri, D Donadio, F Marinelli, F Pietrucci, RA Broglia, M Parrinello

Computer Physics Communications

(2009)

180

1961

(doi: 10.1016/j.cpc.2009.05.011)

Structure and antioxidant activity of brominated flavonols and flavanones

GC Justino, M Rodrigues, MH Florêncio, L Mira

Journal of mass spectrometry : JMS

(2009)

1459

(doi: 10.1002/jms.1630)

Extracting accurate optical parameters from glasses usingterahertz time-domain spectroscopy

EPJ Parrott, JA Zeitler, LF Gladden, SN Taraskin, SR Elliott

Journal of Non Crystalline Solids

(2009)

355

1824

(doi: 10.1016/j.jnoncrysol.2009.04.071)

Solar driven nitrous acid formation on building material surfaces containing titanium dioxide: A concern for air quality in urban areas?

JM Langridge, RJ Gustafsson, PT Griffiths, RA Cox, RM Lambert, RL Jones

Atmospheric Environment

(2009)

5128

(doi: 10.1016/j.atmosenv.2009.06.046)

Four-Dimensional Visualization of Thoracic Blood Flow by Magnetic Resonance Imaging in a Patient Following Correction of Transposition of the Great Arteries (d-TGA) and Uncorrected Aortic Coarctation

J Ley-Zaporozhan, R Unterhinninghofen, F Rengier, M Markl, J Eichhorn, H von Tengg-Kobligk, S Ley

Acta Radiol

(2009)

909

(doi: 10.1080/02841850903061437)

E-Workbook for Chemists

TK Dickens

Chemistry World

(2009)

State-to-state reactive scattering using reactant–product decoupling

MT Cvitaš, SC Althorpe

Physica Scripta