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Currently displaying 12401 - 12420 of 29893 publications

Enantioselective 1,4-additions of ClMeAl(CH[double bond, length as m-dash]CHR) (R = alkyl, alkenyl, Ph) to cyclohexenones

D Willcox, S Woodward, A Alexakis

Chemical Communications

(2014)

1655

(doi: 10.1039/c3cc48191c)

Degenerate Ising model for atomistic simulation of crystal-melt interfaces.

D Schebarchov, TP Schulze, SC Hendy

The Journal of chemical physics

(2014)

140

074704

(doi: 10.1063/1.4864462)

Intercellular propagated misfolding of wild-type Cu/Zn superoxide dismutase occurs via exosome-dependent and -independent mechanisms

LI Grad, JJ Yerbury, BJ Turner, WC Guest, E Pokrishevsky, MA O'Neill, A Yanai, JM Silverman, R Zeineddine, L Corcoran, JR Kumita, LM Luheshi, M Yousefi, BM Coleman, AF Hill, SS Plotkin, IR Mackenzie, NR Cashman

Proc Natl Acad Sci U S A

(2014)

111

3620

(doi: 10.1073/pnas.1312245111)

Diffuse transition state structure for the unfolding of a leucine-rich repeat protein

SE Kelly, G Meisl, PJE Rowling, SH McLaughlin, T Knowles, LS Itzhaki

Physical chemistry chemical physics : PCCP

(2014)

6448

(doi: 10.1039/c3cp54818j)

Comment on “Scavenging of sulfur, halogens and trace metals by volcanic ash: The 2010 Eyjafjallajökull eruption” by Bagnato et al. (2013)

P Delmelle, PM Ayris, EC Maters

Geochimica et Cosmochimica Acta

(2014)

127

381

(doi: 10.1016/j.gca.2013.07.021)

Comparing distance metrics for rotation using the k-nearest neighbors algorithm for entropy estimation

DJ Huggins

Journal of Computational Chemistry

(2014)

377

(doi: 10.1002/jcc.23504)

A structure-guided fragment-based approach for the discovery of allosteric inhibitors targeting the lipophilic binding site of transcription factor EthR

S Surade, N Ty, N Hengrung, B Lechartier, ST Cole, C Abell, TL Blundell

Biochem J

(2014)

458

387

(doi: 10.1042/BJ20131127)

Proton Transfer Pathways, Energy Landscape, and Kinetics in Creatine-Water Systems

O Ivchenko, CS Whittleston, JM Carr, P Imhof, S Goerke, P Bachert, DJ Wales

The Journal of Physical Chemistry B

(2014)

118

1969

(doi: 10.1021/jp410172k)

Joint experimental and computational ¹⁷O solid state NMR study of Brownmillerite Ba₂In₂O₅

R Dervişoğlu, DS Middlemiss, F Blanc, LA Holmes, Y-L Lee, D Morgan, CP Grey

Phys Chem Chem Phys

(2014)

2597

(doi: 10.1039/c3cp53642d)

MD and NMR Analyses of Choline and TMA Binding to Duplex DNA: On the Origins of Aberrant Sequence-Dependent Stability by Alkyl Cations in Aqueous and Water-Free Solvents

G Portella, MW Germann, NV Hud, M Orozco

J Am Chem Soc

(2014)

136

3075

(doi: 10.1021/ja410698u)

Development and understanding of cobaloxime activity through electrochemical molecular catalyst screening.

DW Wakerley, E Reisner

Physical Chemistry Chemical Physics

(2014)

5739

(doi: 10.1039/c4cp00453a)

Targeting the intrinsically disordered structural ensemble of a-synuclein by small molecules as a potential therapeutic strategy for Parkinson's disease

G Tóth, SJ Gardai, W Zago, CW Bertoncini, N Cremades, SL Roy, MA Tambe, J-C Rochet, C Galvagnion, G Skibinski, S Finkbeiner, M Bova, K Regnstrom, S-S Chiou, J Johnston, K Callaway, JP Anderson, MF Jobling, AK Buell, TA Yednock, TPJ Knowles, M Vendruscolo, J Christodoulou, CM Dobson, D Schenk, L McConlogue

Plos One

(2014)

e87133

(doi: 10.1371/journal.pone.0087133)