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- Currently displaying 13081 - 13100 of 29856 publications
Reply to Campos and Munoz: Why phosphate is a bad buffer for guanidinium chloride titrations
Proc Natl Acad Sci U S A
(2013)
110
E1244
(doi: 10.1073/pnas.1303286110)
Quantum influences in the diffusive motion of pyrrole on Cu(111).
Angewandte Chemie International Edition
(2013)
52
5085
(doi: 10.1002/anie.201208868)
Diverse topologies in dynamic combinatorial libraries from tri- and mono-thiols in water : sensitivity to weak supramolecular interactions
Chemical Communications
(2013)
49
5820
(doi: 10.1039/c3cc41158c)
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)
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)
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)
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)
Structural insights into the formation and evolution of amorphous phase‐change materials
physica status solidi (b)
(2013)
250
968
(doi: 10.1002/pssb.201248563)
Annotating targets with pathways: extending approaches to mode of action analysis
Journal of Cheminformatics
(2013)
5
P15
(doi: 10.1186/1758-2946-5-s1-p15)
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)
Relating GPCRs pharmacological space based on ligands chemical similarities
Journal of cheminformatics
(2013)
5
p26
(doi: 10.1186/1758-2946-5-s1-p26)
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)
Symmetrisation schemes for global optimisation of atomic clusters.
Physical Chemistry Chemical Physics
(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)
Synthesis of magnetic rattle-type nanostructures for use in water treatment.
ACS Applied Materials & Interfaces
(2013)
5
2540
(doi: 10.1021/am303117g)
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)
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)
Understanding the Conduction Mechanism of the Protonic Conductor CsH2PO4 by Solid-State NMR Spectroscopy
Journal of Physical Chemistry C
(2013)
117
6504
(doi: 10.1021/jp312410t)