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  • Currently displaying 11721 - 11740 of 29877 publications
Author(s)
Publication title
Journal Name
Publication year
A community computational challenge to predict the activity of pairs of compounds.
M Bansal, J Yang, C Karan, MP Menden, JC Costello, H Tang, G Xiao, Y Li, J Allen, R Zhong, B Chen, M Kim, T Wang, LM Heiser, R Realubit, M Mattioli, MJ Alvarez, Y Shen, NCI-DREAM Community, D Gallahan, D Singer, J Saez-Rodriguez, Y Xie, G Stolovitzky, A Califano, NCI-DREAM Community
Nat Biotechnol
(2014)
32
Superposition-Enhanced Estimation of Optimal Temperature Spacings for Parallel Tempering Simulations.
AJ Ballard, DJ Wales
Journal of chemical theory and computation
(2014)
10
Recyclable l‑Proline Functional Nanoreactors with Temperature-Tuned Activity Based on Core–Shell Nanogels
A Lu, D Moatsou, I Hands-Portman, DA Longbottom, RK O'Reilly
ACS macro letters
(2014)
3
Asymmetric Stetter reactions catalyzed by thiamine diphosphate-dependent enzymes
E Kasparyan, M Richter, C Dresen, LS Walter, G Fuchs, FJ Leeper, T Wacker, SLA Andrade, G Kolter, M Pohl, M Müller
Applied Microbiology and Biotechnology
(2014)
98
Revealing Structural Changes of Prion Protein during Conversion from α‑Helical Monomer to β‑Oligomers by Means of ESR and Nanochannel Encapsulation
C Yang, W-L Lo, Y-H Kuo, JC Sang, C-Y Lee, Y-W Chiang, RP-Y Chen
ACS Chem Biol
(2014)
10
An Expedient and Practical Approach to Functionalized 3-Aza-, 3-Oxa-, and 3-Thiabicyclo[3.3.1]nonane Systems
I Komarov, A Ishchenko, S Yanik, E Rusanov, A Kirby
Synthesis
(2014)
47
Ostwalds rule of stages governs structural transitions and morphology of dipeptide supramolecular polymers
A Levin, TO Mason, L Adler-Abramovich, AK Buell, G Meisl, C Galvagnion, Y Bram, SA Stratford, CM Dobson, TPJ Knowles, E Gazit
Nature Communications
(2014)
5
Single-experiment displacement assay for quantifying high-affinity binding by isothermal titration calorimetry.
G Krainer, S Keller
Methods (San Diego, Calif.)
(2014)
76
A relationship between the transient structure in the monomeric state and the aggregation propensities of α-synuclein and β-synuclein.
JR Allison, RC Rivers, JC Christodoulou, M Vendruscolo, CM Dobson
Biochemistry
(2014)
53
Suppression of the FOXM1 transcriptional programme via novel small molecule inhibition.
MV Gormally, TS Dexheimer, G Marsico, DA Sanders, C Lowe, D Matak-Vinković, S Michael, A Jadhav, G Rai, DJ Maloney, A Simeonov, S Balasubramanian
Nature communications
(2014)
5
Formation of a Heterometallic AlIII/SmIII Complex Involving a Novel [EtAl(2-py)2O]2– Ligand (2-py = 2‑Pyridyl)
R García-Rodríguez, HR Simmonds, DS Wright
Organometallics
(2014)
33
A counteranion triggered arylation strategy using diaryliodonium fluorides.
L Chan, A McNally, QY Toh, A Mendoza, MJ Gaunt
Chemical Science
(2014)
6
Distributed Multipoles from a Robust Basis-Space Implementation of the Iterated Stockholder Atoms Procedure
AJ Misquitta, AJ Stone, F Fazeli
Journal of chemical theory and computation
(2014)
10
Carbon electrodes for energy storage: general discussion.
Y Gogotsi, D Guldi, R McCreery, C-C Hu, C Merlet, F Béguin, L Hardwick, E Frackowiak, J Macpherson, A Forse, GZ Chen, K Holt, R Dryfe, H Kurig, S Sharma, PR Unwin, T Rabbow, W Yu, F Qiu, F Juarez, C Sole, B Dyatkin, K Stevenson, Y Cao, N Cousens, A Noofeli
Faraday Discuss
(2014)
172
Multifunctional supramolecular polymer networks as next-generation consolidants for archaeological wood conservation
Z Walsh, E-R Janeček, JT Hodgkinson, J Sedlmair, A Koutsioubas, DR Spring, M Welch, CJ Hirschmugl, C Toprakcioglu, JR Nitschke, M Jones, OA Scherman
Proceedings of the National Academy of Sciences of the United States of America
(2014)
111
Defining molecular initiating events in the adverse outcome pathway framework for risk assessment
TEH Allen, JM Goodman, S Gutsell, PJ Russell
Chem Res Toxicol
(2014)
27
In situ observations during chemical vapor deposition of hexagonal boron nitride on polycrystalline copper
PR Kidambi, R Blume, J Kling, JB Wagner, C Baehtz, RS Weatherup, R Schloegl, BC Bayer, S Hofmann
Chem Mater
(2014)
26
Site-selective hexa-hetero-functionalization of α-cyclodextrin an archetypical C6-symmetric concave cycle
B Wang, E Zaborova, S Guieu, M Petrillo, M Guitet, Y Blériot, M Ménand, Y Zhang, M Sollogoub
Nature communications
(2014)
5
Ab Initio Structure Search and in Situ 7Li NMR Studies of Discharge Products in the Li-S Battery System
KA See, M Leskes, JM Griffin, S Britto, PD Matthews, A Emly, A Van der Ven, DS Wright, AJ Morris, CP Grey, R Seshadri
Journal of the American Chemical Society
(2014)
136
Is floral iridescence a biologically relevant cue in plant–pollinator signalling? A response to van der Kooi et al. (2014b)
S Vignolini, E Moyroud, T Hingant, H Banks, PJ Rudall, U Steiner, BJ Glover
New Phytol
(2014)
205