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  • Currently displaying 13041 - 13060 of 29877 publications
Author(s)
Publication title
Journal Name
Publication year
Full "laplacianised" posterior naive Bayesian algorithm
HY Mussa, JBO Mitchell, RC Glen
Journal of Cheminformatics
(2013)
5
Diversity selection of compounds based on 'protein affinity fingerprints' improves sampling of bioactive chemical space.
HP Nguyen, A Koutsoukas, F Mohd Fauzi, G Drakakis, M Maciejewski, RC Glen, A Bender
Chem Biol Drug Des
(2013)
82
Inelastic scattering of OH radicals from organic liquids: isolating the thermal desorption channel
KL King, G Paterson, GE Rossi, M Iljina, RE Westacott, ML Costen, KG McKendrick
Physical chemistry chemical physics : PCCP
(2013)
15
η2-allenyl- and η2-alkynylphosphonium complexes of platinum
AL Colebatch, IA Cade, AF Hill, MM Bhadbhade
Organometallics
(2013)
32
A left-handed building block self-assembles into right-and left-handed helices
SW Olesen, SN Fejer, D Chakrabarti, DJ Wales
Rsc Advances
(2013)
3
Crystal architecture and physicochemical properties of felodipine solvates
AO Surov, KA Solanko, AD Bond, A Bauer-Brandl, GL Perlovich
Crystengcomm
(2013)
15
Relationship between Chemical Structure and Supramolecular Effective Molarity for Formation of Intramolecular H-Bonds
H Sun, CA Hunter, C Navarro, S Turega
Journal of the American Chemical Society
(2013)
135
Advantages of mechanochemical cocrystallisation in the solid-state chemistry of pigments: colour-tuned fluorescein cocrystals
D-K Bučar, S Filip, M Arhangelskis, GO Lloyd, W Jones
CrystEngComm
(2013)
15
An Electronically Non-Adiabatic Generalization of Ring Polymer Molecular Dynamics
TJH Hele
(2013)
Sub-ångström-resolution crystallography reveals physical distortions that enhance reactivity of a covalent enzymatic intermediate.
S Lüdtke, P Neumann, KM Erixon, F Leeper, R Kluger, R Ficner, K Tittmann
Nat Chem
(2013)
5
Metalloenzymes: Cutting out the middleman.
S Roy, AK Jones
Nat Chem Biol
(2013)
9
Graphical Interfaces and Virtual Reality for Molecular Sciences
A Salvadori, D Licari, G Mancini, A Brogni, N De Mitri, V Barone
(2013)
Use of In Situ Atomic Force Microscopy to Follow Phase Changes at Crystal Surfaces in Real Time
R Thakuria, MD Eddleston, EHH Chow, GO Lloyd, BJ Aldous, JF Krzyzaniak, AD Bond, W Jones
Angewandte Chemie International Edition
(2013)
52
T2 distribution spectra obtained by continuum fitting method using a mixed Gaussian and exponential kernel function
H Zhu, HP Huinink, PCMM Magusin, OCG Adan, K Kopinga
J Magn Reson
(2013)
235
The effects of buffers and pH on the thermal stability, unfolding and substrate binding of RecA.
MA Metrick, JE Temple, G MacDonald
Biophys Chem
(2013)
184
Use of In Situ Atomic Force Microscopy to Follow Phase Changes at Crystal Surfaces in Real Time
R Thakuria, MD Eddleston, EHH Chow, GO Lloyd, BJ Aldous, JF Krzyzaniak, AD Bond, W Jones
Angewandte Chemie
(2013)
125
In Situ Observations of the Atomistic Mechanisms of Ni Catalyzed Low Temperature Graphene Growth
LL Patera, C Africh, RS Weatherup, R Blume, S Bhardwaj, C Castellarin-Cudia, A Knop-Gericke, R Schloegl, G Comelli, S Hofmann, C Cepek
ACS Nano
(2013)
7
In situ and real-time monitoring of mechanochemical milling reactions using synchrotron X-ray diffraction
I Halasz, SAJ Kimber, PJ Beldon, AM Belenguer, F Adams, V Honkimäki, RC Nightingale, RE Dinnebier, T Friščić
Nature protocols
(2013)
8
Solution Structures and Acidity Constants of Molybdic Acid
X Liu, J Cheng, M Sprik, X Lu
Journal of Physical Chemistry Letters
(2013)
4
Copper-Catalyzed Carboarylation of Alkynes via Vinyl Cations
AJ Walkinshaw, W Xu, MG Suero, MJ Gaunt
Journal of the American Chemical Society
(2013)
135