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- Currently displaying 13641 - 13660 of 30138 publications
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)
Experimental validation of in silico target predictions on synergistic protein targets
Journal of Cheminformatics
(2013)
5
P31
(doi: 10.1186/1758-2946-5-s1-p31)
Chemogenomics approaches to rationalising compound action of traditional Chinese and Ayurvedic medicines
Journal of Cheminformatics
(2013)
5
p44
(doi: 10.1186/1758-2946-5-s1-p44)
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)
Structural insights into the formation and evolution of amorphous phase‐change materials
physica status solidi (b)
(2013)
250
968
(doi: 10.1002/pssb.201248563)
Synthesis of Magnetic Rattle-Type Nanostructures for Use in Water Treatment
ACS Applied Materials and Interfaces
(2013)
5
2540
(doi: 10.1021/am303117g)
Symmetrisation schemes for global optimisation of atomic clusters.
Physical chemistry chemical physics : PCCP
(2013)
15
3965
(doi: 10.1039/c3cp44332a)
Insights into chromatin fibre structure by in vitro and in silico single-molecule stretching experiments
Biochemical Society transactions
(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 : PCCP
(2013)
15
3736
(doi: 10.1039/c3cp44179b)
Lattice model of dynamic heterogeneity and kinetic arrest in glass-forming liquids
Soft Matter
(2013)
9
3173
(doi: 10.1039/c3sm25679k)
Understanding the conduction mechanism of the protonic conductor CsH 2PO4 by solid-state NMR spectroscopy
The Journal of Physical Chemistry C
(2013)
117
6504
(doi: 10.1021/jp312410t)
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)
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)
Atomic structure and hierarchical assembly of a cross-β amyloid fibril
Proceedings of the National Academy of Sciences
(2013)
110
5468
(doi: 10.1073/pnas.1219476110)
Real-time single-molecule imaging reveals a direct interaction between UvrC and UvrB on DNA tightropes.
Nucleic Acids Research
(2013)
41
4901
(doi: 10.1093/nar/gkt177)
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)
STRUCTURAL BIOLOGY: Protein self-assembly intermediates
Nature chemical biology
(2013)
9
216
(doi: 10.1038/nchembio.1210)
Tropospheric ozone changes, radiative forcing and attribution to emissions in the Atmospheric Chemistry and Climate Model Intercomparison Project (ACCMIP)
Atmospheric Chemistry and Physics
(2013)
13
3063
(doi: 10.5194/acp-13-3063-2013)