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  • Currently displaying 15241 - 15260 of 30260 publications
Author(s)
Publication title
Journal Name
Publication year
OSCAR4: A flexible architecture for chemical textmining
DM Jessop, SE Adams, EL Willighagen, L Hawizy, P Murray-Rust
J Cheminform
(2011)
3
Mining chemical information from open patents.
DM Jessop, SE Adams, P Murray-Rust
J Cheminform
(2011)
3
CMLLite: a design philosophy for CML
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
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
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
J Am Chem Soc
(2011)
133
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
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
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
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
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
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 Cu 3 (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
J Am Chem Soc
(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 A European Journal
(2011)
17
Extended surfaces modulate hydrophobic interactions of neighboring solutes
AJ Patel, P Varilly, SN Jamadagni, H Acharya, S Garde, D Chandler
Proceedings of the National Academy of Sciences of USA
(2011)
108
Single crystal nuclear magnetic resonance in spinning powders.
AJ Pell, G Pintacuda, L Emsley
The Journal of chemical physics
(2011)
135
pH-Driven dynamic stereoinduction: epimerization upon dimerization in rhenium(I) complexes.
CM Álvarez, R Carrillo, R García-Rodríguez, D Miguel
Chemical Communications
(2011)
47