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  • Currently displaying 13641 - 13660 of 31135 publications
Author(s)
Publication title
Journal Name
Publication year
Comparing distance metrics for rotation using the k-nearest neighbors algorithm for entropy estimation
DJ Huggins
Journal of Computational Chemistry
(2014)
35
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)
16
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
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
Journal of Physical Chemistry B
(2014)
118
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
Development and understanding of cobaloxime activity through electrochemical molecular catalyst screening
DW Wakerley, E Reisner
Physical Chemistry Chemical Physics
(2014)
16
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)
9
Living clusters and crystals from low density suspensions of active colloids
BM Mognetti, A Šarić, S Angioletti-Uberti, A Cacciuto, C Valeriani, D Frenkel
(2014)
Chemistry, geometry, and defects in two dimensions
DJ Wales
ACS Nano
(2014)
8
Solid-State NMR Studies of Full-Length BamA in Lipid Bilayers Suggest Limited Overall POTRA Mobility
T Sinnige, M Weingarth, M Renault, L Baker, J Tommassen, M Baldus
J Mol Biol
(2014)
426
In-situ switching from barrier-limited to ohmic anodes for efficient organic optoelectronics
Z Tan, Y Vaynzof, D Credgington, C Li, MTL Casford, A Sepe, S Huettner, M Nikolka, F Paulus, L Yang, H Sirringhaus, NC Greenham, RH Friend
Advanced Functional Materials
(2014)
24
The dynamics of interleukin-8 and its interaction with human CXC receptor I peptide.
AA Kendrick, MJ Holliday, NG Isern, F Zhang, C Camilloni, C Huynh, M Vendruscolo, G Armstrong, EZ Eisenmesser
Protein Science
(2014)
23
Crystal structure of 1-(N-morpholiniomethyl)spirobi(4-methyl-3-oxo-2,5-dioxa-1-silacyclopentan)ate dihydrate, C11H19NO7Si • 2H2O
S Belyakov, M Arhangelskis, M Zielonka, N Erchak
Zeitschrift für Kristallographie - New Crystal Structures
(2014)
226
Nucleation and growth of monodisperse silica nanoparticles.
CCMC Carcouët, MWP van de Put, B Mezari, PCMM Magusin, J Laven, PHH Bomans, H Friedrich, ACC Esteves, NAJM Sommerdijk, RATM van Benthem, G de With
Nano Letters
(2014)
14
Modeling the oxygen evolution reaction on metal oxides: The infuence of unrestricted DFT calculations
RV Mom, J Cheng, MTM Koper, M Sprik
The Journal of Physical Chemistry C
(2014)
118
Supramolecular and dynamic covalent reactivity.
JR Nitschke
Chemical Society reviews
(2014)
43
The effect of O-methylated flavonoids and other co-metabolites on the crystallization and purification of artemisinin
JO Suberu, P Yamin, K Leonhard, L Song, S Chemat, N Sullivan, G Barker, AA Lapkin
Journal of Biotechnology
(2014)
171
Expanding and Reprogramming the Genetic Code of Cells and Animals
JW Chin
Annual Review of Biochemistry
(2014)
83
Designing stimulus-sensitive colloidal walkers
FJ Martinez-Veracoechea, BM Mognetti, S Angioletti-Uberti, P Varilly, D Frenkel, J Dobnikar
(2014)
The Free Energy Profile of Tubulin Straight-Bent Conformational Changes, with Implications for Microtubule Assembly and Drug Discovery
LX Peng, MT Hsu, M Bonomi, DA Agard, MP Jacobson
PLoS computational biology
(2014)
10