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  • Currently displaying 13461 - 13480 of 30304 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
Chemical Biology & Drug Design
(2013)
82
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
J Am Chem Soc
(2013)
135
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
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
Phys Chem Chem Phys
(2013)
15
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)
Cutting out the middleman
S Roy, AK Jones
Nature chemical biology
(2013)
9
Sub-angstrom-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
Nature Chemistry
(2013)
5
Graphical Interfaces and Virtual Reality for Molecular Sciences
A Salvadori, D Licari, G Mancini, A Brogni, N De Mitri, V Barone
(2013)
The effects of buffers and pH on the thermal stability, unfolding and substrate binding of RecA
MA Metrick, JE Temple, G MacDonald
Biophysical Chemistry
(2013)
184
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
Journal of magnetic resonance (San Diego, Calif. : 1997)
(2013)
235
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
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 ed. in English)
(2013)
52
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
Copper-catalyzed carboarylation of alkynes via vinyl cations
AJ Walkinshaw, W Xu, MG Suero, MJ Gaunt
Journal of the American Chemical Society
(2013)
135
Remarkably Fast Coupled Folding and Binding of the Intrinsically Disordered Transactivation Domain of cMyb to CBP KIX
SL Shammas, AJ Travis, J Clarke
The Journal of Physical Chemistry B
(2013)
117