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- Currently displaying 13241 - 13260 of 29607 publications
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)
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)
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)
Relating GPCRs pharmacological space based on ligands chemical similarities
Journal of cheminformatics
(2013)
5
P26
(doi: 10.1186/1758-2946-5-s1-p26)
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)
Symmetrisation schemes for global optimisation of atomic clusters
Physical Chemistry Chemical Physics
(2013)
15
3965
(doi: 10.1039/c3cp44332a)
Single-crystal adsorption calorimetry and density functional theory of CO chemisorption on fcc Co{110}
Physical chemistry chemical physics : PCCP
(2013)
15
4059
(doi: 10.1039/c3cp43836h)
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)
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)
Synthesis of magnetic rattle-type nanostructures for use in water treatment.
ACS Appl Mater Interfaces
(2013)
5
2540
(doi: 10.1021/am303117g)
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)
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)
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)
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 research
(2013)
41
4901
(doi: 10.1093/nar/gkt177)
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 & Catalysis
(2013)
355
996
(doi: 10.1002/adsc.201201040)