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Currently displaying 9821 - 9840 of 29903 publications

Bioalerts: A python library for the derivation of structural alerts from bioactivity and toxicity data sets

I Cortes-Ciriano

J Cheminform

(2016)

(doi: 10.1186/s13321-016-0125-7)

Improving the prediction of organism-level toxicity through integration of chemical, protein target and cytotoxicity qHTS data

CHG Allen, A Koutsoukas, I Cortés-Ciriano, DS Murrell, TE Malliavin, RC Glen, A Bender

Toxicology research

(2016)

883

(doi: 10.1039/c5tx00406c)

Rheological evaluation of colloidal dispersions using the smoothed profile method: formulation and applications

JJ Molina, K Otomura, H Shiba, H Kobayashi, M Sano, R Yamamoto

Journal of Fluid Mechanics

(2016)

792

590

(doi: 10.1017/jfm.2016.78)

Flow measurements of a polyphenyl ether oil in an elastohydrodynamic contact

B Galmiche, A Ponjavic, JSS Wong

Journal of Physics: Condensed Matter

(2016)

134005

(doi: 10.1088/0953-8984/28/13/134005)

The interplay of covalency, hydrogen bonding, and dispersion leads to a long range chiral network: The example of 2-butanol

ML Liriano, J Carrasco, EA Lewis, CJ Murphy, TJ Lawton, MD Marcinkowski, AJ Therrien, A Michaelides, ECH Sykes

Journal of Chemical Physics

(2016)

144

094703

(doi: 10.1063/1.4941560)

Dynamics of the frustrated spin in the low dimensional magnet Co₃(OH)₂(C₄O₄)₂.

RA Mole, KC Rule, D Yu, JA Stride, MA Nadeem, PT Wood

Journal of Physics: Condensed Matter

(2016)

126005

(doi: 10.1088/0953-8984/28/12/126005)

How Does Substitutional Doping Affect Visible Light Absorption in a Series of Homodisperse Ti11 Polyoxotitanate Nanoparticles--A Comment on the Band Gap Determination of the Fe(II) Cages (Chem. Eur. J. 2015, 21, 11538).

PD Matthews, N Li, H-K Luo, DS Wright

Chemistry - A European Journal

(2016)

4632

(doi: 10.1002/chem.201504653)

A structural ensemble of a ribosome–nascent chain complex during cotranslational protein folding

LD Cabrita, AME Cassaignau, HMM Launay, CA Waudby, T Wlodarski, C Camilloni, M-E Karyadi, AL Robertson, X Wang, AS Wentink, L Goodsell, CA Woolhead, M Vendruscolo, CM Dobson, J Christodoulou

Nature Structural & Molecular Biology

(2016)

278

(doi: 10.1038/nsmb.3182)

Oligomers of Heat-Shock Proteins: Structures That Don’t Imply Function

WM Jacobs, TPJ Knowles, D Frenkel

Plos Computational Biology

(2016)

e1004756

(doi: 10.1371/journal.pcbi.1004756)

Evaluation of the ACCESS – chemistry–climate model for the Southern Hemisphere

KA Stone, O Morgenstern, DJ Karoly, AR Klekociuk, WJ French, NL Abraham, R Schofield

Atmospheric Chemistry and Physics

(2016)

2401

(doi: 10.5194/acp-16-2401-2016)

A Fragment-Based Method of Creating Small-Molecule Libraries to Target the Aggregation of Intrinsically Disordered Proteins

P Joshi, S Chia, J Habchi, TPJ Knowles, CM Dobson, M Vendruscolo

ACS Combinatorial Science

(2016)

144

(doi: 10.1021/acscombsci.5b00129)

Compartmentalization and Transport in Synthetic Vesicles.

C Schmitt, AH Lippert, N Bonakdar, V Sandoghdar, LM Voll

Frontiers in Bioengineering and Biotechnology

(2016)

(doi: 10.3389/fbioe.2016.00019)

Co-ordinated Airborne Studies in the Tropics (CAST)

N Harris, LJ Carpenter, JD Lee, G Vaughan, MT Filus, RL Jones, B OuYang, JA Pyle, AD Robinson, S Andrews, AC Lewis, J Minaeian, A Vaughan, J Dorsey, MW Gallagher, BM Le, R Newton, C Percival, H Ricketts, S Baugitte, G Nott, A Wellpott, M Ashfold, J Flemming, R Butler, P Palmer, C Stopford, C Chemel, P Kaye, H Boesch, N Humpage, A Vick, AR MacKenzie, R Hyde, P Angelov, A Manning, E Meneguz

Bulletin of the American Meteorological Society

(2016)

Solar photochemical and thermochemical splitting of water.

CNR Rao, SR Lingampalli, S Dey, A Roy

Philosophical Transactions of the Royal Society A Mathematical Physical and Engineering Sciences

(2016)

374

20150088

(doi: 10.1098/rsta.2015.0088)

Analysis of Iterative Screening with Stepwise Compound Selection Based on Novartis In-house HTS Data

S Paricharak, AP IJzerman, A Bender, F Nigsch

ACS chemical biology