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  • Currently displaying 15341 - 15360 of 30378 publications
Author(s)
Publication title
Journal Name
Publication year
The semantics of Chemical Markup Language (CML): dictionaries and conventions
P Murray-Rust, JA Townsend, SE Adams, W Phadungsukanan, J Thomas
Journal of Cheminformatics
(2011)
3
Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on.
NM O'Boyle, R Guha, EL Willighagen, SE Adams, J Alvarsson, J-C Bradley, IV Filippov, RM Hanson, MD Hanwell, GR Hutchison, CA James, N Jeliazkova, AS Lang, KM Langner, DC Lonie, DM Lowe, J Pansanel, D Pavlov, O Spjuth, C Steinbeck, AL Tenderholt, KJ Theisen, P Murray-Rust
J Cheminform
(2011)
3
OSCAR4: A flexible architecture for chemical textmining
DM Jessop, SE Adams, EL Willighagen, L Hawizy, P Murray-Rust
Journal of Cheminformatics
(2011)
3
The semantic architecture of the World-Wide Molecular Matrix (WWMM)
P Murray-Rust, SE Adams, J Downing, JA Townsend, Y Zhang
Journal of Cheminformatics
(2011)
3
Mining chemical information from open patents.
DM Jessop, SE Adams, P Murray-Rust
Journal of Cheminformatics
(2011)
3
Ami - The Chemist's Amanuensis
BJ Brooks, AL Thorn, M Smith, P Matthews, S Chen, B O'Steen, SE Adams, JA Townsend, P Murray-Rust
J Cheminform
(2011)
3
Open Bibliography for Science, Technology, and Medicine
R Jones, M Macgillivray, P Murray-Rust, J Pitman, P Sefton, B O'Steen, W Waites
J Cheminform
(2011)
3
Semantic science and its communication - a personal view
P Murray-Rust
Journal of cheminformatics
(2011)
3
CML: Evolution and design
P Murray-Rust, HS Rzepa
Journal of cheminformatics
(2011)
3
H2 Molecules Encapsulated in Extended Ben Cluster Cages: Toward Light-Metal Nanofoams for Hydrogen Storage
FY Naumkin, DJ Wales
J Phys Chem A
(2011)
115
Defects in doped LaGaO3 anionic conductors: Linking NMR spectral features, local environments, and defect thermodynamics
F Blanc, DS Middlemiss, Z Gan, CP Grey
Journal of the American Chemical Society
(2011)
133
Mode-Specific Chemisorption of CH4 on Pt{110}-(1 x 2) Explored by First-Principles Molecular Dynamics
M Sacchi, DJ Wales, SJ Jenkins
Journal of Physical Chemistry C
(2011)
115
The fourth age of quantum chemistry: molecules in motion.
AG Császár, C Fábri, T Szidarovszky, E Mátyus, T Furtenbacher, G Czakó
Physical Chemistry Chemical Physics
(2011)
14
Structure of a Blinkin-BUBR1 complex reveals an interaction crucial for kinetochore-mitotic checkpoint regulation via an unanticipated binding site
VM Bolanos-Garcia, T Lischetti, D Matak-Vinković, E Cota, PJ Simpson, DY Chirgadze, DR Spring, CV Robinson, J Nilsson, TL Blundell
Structure
(2011)
19
Fast resonance assignment and fold determination of human superoxide dismutase by high-resolution proton-detected solid-state MAS NMR spectroscopy.
MJ Knight, AL Webber, AJ Pell, P Guerry, E Barbet-Massin, I Bertini, IC Felli, L Gonnelli, R Pierattelli, L Emsley, A Lesage, T Herrmann, G Pintacuda
Angewandte Chemie International Edition
(2011)
50
Amphiphile replacement on carbon nanotube surfaces: Effect of aromatic groups on the interaction strength
P Bluemmel, A Setaro, CS Popeney, B Trappmann, R Haag, S Reich
physica status solidi (b)
(2011)
248
Stereoselective synthesis of sarmentine
RN Shakhmaev, AU Ishbaeva, AS Sunagatullina, VV Zorin
Russian Journal of General Chemistry
(2011)
81
Inversion of the Balance between Hydrophobic and Hydrogen Bonding Interactions in Protein Folding and Aggregation.
AW Fitzpatrick, TPJ Knowles, CA Waudby, M Vendruscolo, CM Dobson
PLoS computational biology
(2011)
7
Irreversible High-Temperature Hydrogen Interaction with the Metal Organic Framework Cu3(BTC)2
A Grzech, J Yang, TJ Dingemans, S Srinivasan, PCMM Magusin, FM Mulder
The Journal of Physical Chemistry C
(2011)
115
“Cofactor”-Controlled Enantioselective Catalysis
P Dydio, C Rubay, T Gadzikwa, M Lutz, JNH Reek
Journal of the American Chemical Society
(2011)
133