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- Currently displaying 12601 - 12620 of 29347 publications
Using machine learning techniques for rationalising phenotypic readouts from a rat sleeping model
– Journal of Cheminformatics
(2013)
5,
p34
(doi: 10.1186/1758-2946-5-s1-p34)
In silico target prediction: identification of on- and off-targets for crop protection agents
– Journal of Cheminformatics
(2013)
5,
p18
(doi: 10.1186/1758-2946-5-s1-p18)
Quantifying the shifts in physicochemical property space introduced by the metabolism of small organic molecules
– Journal of Cheminformatics
(2013)
5,
o12
(doi: 10.1186/1758-2946-5-s1-o12)
International chemical identifier for chemical reactions
– Journal of Cheminformatics
(2013)
5,
o16
(doi: 10.1186/1758-2946-5-s1-o16)
Revised classification of kinases based on bioactivity data: the importance of data density and choice of visualization
– Journal of Cheminformatics
(2013)
5,
p24
(doi: 10.1186/1758-2946-5-s1-p24)
Synthesis of magnetic rattle-type nanostructures for use in water treatment.
– ACS Applied Materials & Interfaces
(2013)
5,
2540
(doi: 10.1021/am303117g)
Symmetrisation schemes for global optimisation of atomic clusters
– Phys Chem Chem Phys
(2013)
15,
3965
(doi: 10.1039/c3cp44332a)
Lattice model of dynamic heterogeneity and kinetic arrest in glass-forming liquids
– Soft Matter
(2013)
9,
3173
(doi: 10.1039/c3sm25679k)
Insights into chromatin fibre structure by in vitro and in silico single-molecule stretching experiments
– Biochem Soc Trans
(2013)
41,
494
(doi: 10.1042/BST20120349)
Single-crystal adsorption calorimetry and density functional theory of CO chemisorption on fcc Co{110}.
– Phys Chem Chem Phys
(2013)
15,
4059
(doi: 10.1039/c3cp43836h)
JOYCE and ULYSSES: integrated and user-friendly tools for the parameterization of intramolecular force fields from quantum mechanical data
– Physical Chemistry Chemical Physics
(2013)
15,
3736
(doi: 10.1039/c3cp44179b)
Understanding the Conduction Mechanism of the Protonic Conductor CsH2PO4 by Solid-State NMR Spectroscopy
– The Journal of Physical Chemistry C
(2013)
117,
6504
(doi: 10.1021/jp312410t)
Hydration, acidity and metal complexing of polysulfide species: A first principles molecular dynamics study
– Chemical Physics Letters
(2013)
563,
9
(doi: 10.1016/j.cplett.2013.01.046)
A study of the impact of land-use change in Borneo on atmospheric composition using a global model
– Atmospheric Chemistry and Physics Discussions
(2013)
13,
7431
(doi: 10.5194/acpd-13-7431-2013)
Frequency-stepped acquisition in nuclear magnetic resonance spectroscopy under magic angle spinning
– The Journal of chemical physics
(2013)
138,
114201
(doi: 10.1063/1.4795001)
Selective detection of tetrahedral units in amorphous GeTe-based phase change alloys using Ge L3-edge x-ray absorption near-edge structure spectroscopy
– Applied Physics Letters
(2013)
102,
111904
(doi: 10.1063/1.4794870)
Real-time single-molecule imaging reveals a direct interaction between UvrC and UvrB on DNA tightropes.
– Nucleic Acids Res
(2013)
41,
4901
(doi: 10.1093/nar/gkt177)
Atomic structure and hierarchical assembly of a cross-β amyloid fibril.
– Proceedings of the National Academy of Sciences of the United States of America
(2013)
110,
5468
(doi: 10.1073/pnas.1219476110)
Structural biology: Protein self-assembly intermediates
– Nature Chemical Biology
(2013)
9,
216
(doi: 10.1038/nchembio.1210)
Trifluoromethylation of 1‐Aryl‐3,3‐diisopropyltriazenes
– Advanced Synthesis and Catalysis
(2013)
355,
996
(doi: 10.1002/adsc.201201040)