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  • Currently displaying 14681 - 14700 of 29917 publications
Author(s)
Publication title
Journal Name
Publication year
Mining chemical information from open patents
DM Jessop, SE Adams, P Murray-Rust
J Cheminform
(2011)
3
Semantic science and its communication - a personal view
P Murray-Rust
J Cheminform
(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
The Quixote project: Collaborative and Open Quantum Chemistry data management in the Internet age
S Adams, P de Castro, P Echenique, J Estrada, MD Hanwell, P Murray-Rust, P Sherwood, J Thomas, J Townsend
J Cheminform
(2011)
3
CML: Evolution and design
P Murray-Rust, HS Rzepa
J Cheminform
(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
Journal of Cheminformatics
(2011)
3
CMLLite: a design philosophy for CML.
JA Townsend, P Murray-Rust
Journal of cheminformatics
(2011)
3
OSCAR4: a flexible architecture for chemical text-mining
DM Jessop, SE Adams, EL Willighagen, L Hawizy, P Murray-Rust
J Cheminform
(2011)
3
H2 molecules encapsulated in extended Ben cluster cages: toward light-metal nanofoams for hydrogen storage.
FY Naumkin, DJ Wales
The Journal of Physical Chemistry A
(2011)
115
The semantic architecture of the World-Wide Molecular Matrix (WWMM)
P Murray-Rust, SE Adams, J Downing, JA Townsend, Y Zhang
J Cheminform
(2011)
3
Multicolored and white-light phosphors based on doped GdF3 nanoparticles and their potential bio-applications
FN Sayed, V Grover, V Sudarsan, BN Pandey, A Asthana, RK Vatsa, AK Tyagi
J Colloid Interface Sci
(2011)
367
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
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
Angew Chem Int Ed Engl
(2011)
50
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
The fourth age of quantum chemistry: molecules in motion.
AG Császár, C Fábri, T Szidarovszky, E Mátyus, T Furtenbacher, G Czakó
Phys. Chem. Chem. Phys.
(2011)
14
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 Basic Research
(2011)
248
Defects in doped LaGaO3 anionic conductors: linking NMR spectral features, local environments, and defect thermodynamics.
F Blanc, DS Middlemiss, Z Gan, CP Grey
J Am Chem Soc
(2011)
133
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
Stereoselective synthesis of sarmentine
RN Shakhmaev, AU Ishbaeva, AS Sunagatullina, VV Zorin
Russian Journal of General Chemistry
(2011)
81
Mode-specific chemisorption of CH4 on Pt{110}-(1 × 2) explored by first-principles molecular dynamics
M Sacchi, DJ Wales, SJ Jenkins
Journal of Physical Chemistry C
(2011)
115