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  • Currently displaying 14861 - 14880 of 29877 publications
Author(s)
Publication title
Journal Name
Publication year
Semantic science and its communication - a personal view.
P Murray-Rust
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
The semantics of Chemical Markup Language (CML): dictionaries and conventions
P Murray-Rust, JA Townsend, SE Adams, W Phadungsukanan, J Thomas
J Cheminform
(2011)
3
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
OSCAR4: a flexible architecture for chemical text-mining.
DM Jessop, SE Adams, EL Willighagen, L Hawizy, P Murray-Rust
Journal of cheminformatics
(2011)
3
Mining chemical information from open patents
DM Jessop, SE Adams, P Murray-Rust
Journal of cheminformatics
(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
Journal of Cheminformatics
(2011)
3
CMLLite: a design philosophy for CML.
JA Townsend, 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
Journal of cheminformatics
(2011)
3
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
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
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
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 (London, England : 1993)
(2011)
19
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
Phys Chem Chem Phys
(2011)
14
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
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
Aryl-aryl bond formation by the fluoride-free cross-coupling of aryldisiloxanes with aryl bromides
CM Boehner, EC Frye, KMG O'Connell, WRJD Galloway, HF Sore, PG Dominguez, D Norton, DG Hulcoop, M Owen, G Turner, C Crawford, H Horsley, DR Spring
Chemistry (Weinheim an der Bergstrasse, Germany)
(2011)
17