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- Currently displaying 11721 - 11740 of 29877 publications
A community computational challenge to predict the activity of pairs of compounds.
Nat Biotechnol
(2014)
32
1213
(doi: 10.1038/nbt.3052)
Superposition-Enhanced Estimation of Optimal Temperature Spacings for Parallel Tempering Simulations.
Journal of chemical theory and computation
(2014)
10
5599
(doi: 10.1021/ct500797a)
Recyclable l‑Proline Functional Nanoreactors with Temperature-Tuned Activity Based on Core–Shell Nanogels
ACS macro letters
(2014)
3
1235
(doi: 10.1021/mz500704y)
Asymmetric Stetter reactions catalyzed by thiamine diphosphate-dependent enzymes
Applied Microbiology and Biotechnology
(2014)
98
9681
(doi: 10.1007/s00253-014-5850-0)
Revealing Structural Changes of Prion Protein during Conversion from α‑Helical Monomer to β‑Oligomers by Means of ESR and Nanochannel Encapsulation
ACS Chem Biol
(2014)
10
493
(doi: 10.1021/cb500765e)
An Expedient and Practical Approach to Functionalized 3-Aza-, 3-Oxa-, and 3-Thiabicyclo[3.3.1]nonane Systems
Synthesis
(2014)
47
367
(doi: 10.1055/s-0034-1379456)
Ostwalds rule of stages governs structural transitions and morphology of dipeptide supramolecular polymers
Nature Communications
(2014)
5
5219
(doi: 10.1038/ncomms6219)
Single-experiment displacement assay for quantifying high-affinity binding by isothermal titration calorimetry.
Methods (San Diego, Calif.)
(2014)
76
116
(doi: 10.1016/j.ymeth.2014.10.034)
A relationship between the transient structure in the monomeric state and the aggregation propensities of α-synuclein and β-synuclein.
Biochemistry
(2014)
53
7170
(doi: 10.1021/bi5009326)
Suppression of the FOXM1 transcriptional programme via novel small molecule inhibition.
Nature communications
(2014)
5
5165
(doi: 10.1038/ncomms6165)
Formation of a Heterometallic AlIII/SmIII Complex Involving a Novel [EtAl(2-py)2O]2– Ligand (2-py = 2‑Pyridyl)
Organometallics
(2014)
33
7113
(doi: 10.1021/om5009132)
A counteranion triggered arylation strategy using diaryliodonium fluorides.
Chemical Science
(2014)
6
1277
(doi: 10.1039/c4sc02856b)
Distributed Multipoles from a Robust Basis-Space Implementation of the Iterated Stockholder Atoms Procedure
Journal of chemical theory and computation
(2014)
10
5405
(doi: 10.1021/ct5008444)
Carbon electrodes for energy storage: general discussion.
Faraday Discuss
(2014)
172
239
(doi: 10.1039/C4FD90026J)
Multifunctional supramolecular polymer networks as next-generation consolidants for archaeological wood conservation
Proceedings of the National Academy of Sciences of the United States of America
(2014)
111
17743
(doi: 10.1073/pnas.1406037111)
Defining molecular initiating events in the adverse outcome pathway framework for risk assessment
Chem Res Toxicol
(2014)
27
2100
(doi: 10.1021/tx500345j)
In situ observations during chemical vapor deposition of hexagonal boron nitride on polycrystalline copper
Chem Mater
(2014)
26
6380
(doi: 10.1021/cm502603n)
Site-selective hexa-hetero-functionalization of α-cyclodextrin an archetypical C6-symmetric concave cycle
Nature communications
(2014)
5
5354
(doi: 10.1038/ncomms6354)
Ab Initio Structure Search and in Situ 7Li NMR Studies of Discharge Products in the Li-S Battery System
Journal of the American Chemical Society
(2014)
136
16368
(doi: 10.1021/ja508982p)
Is floral iridescence a biologically relevant cue in plant–pollinator signalling? A response to van der Kooi et al. (2014b)
New Phytol
(2014)
205
21
(doi: 10.1111/nph.13178)