skip to content

Department of Chemistry

 

Tips on using this search form

  • All search terms are case-insensitive
  • If you specify more than one search option (e.g. you search for both "Authors" and "Paper title") then the publications returned will be those that match all of your search terms
  • To reset the search form, click here
  • Currently displaying 121 - 140 of 20710 publications
GBM Drug Bank-a new resource for glioblastoma drug discovery and informatics research.
F Svensson, B Westerman, T Würdinger, D Bailey
– Neuro-oncology
(2018)
Transcriptome Analysis Introduction and Examples from the Neurosciences
A Cellerino, M Sanguanini
(2018)
Determining associations between transcriptomics and toxicity using co-expression network methods
B Alexander-Dann, T James, A Bender
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2018)
256,
Computational selectivity modelling for bromodomains: Insights into selectivity and discovery of new small-molecule hits
K Giblin, S Hughes, H Boyd, P Hansson, R Sheppard, T Hayhow, A Bender
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2018)
256,
Gearing transcriptomics towards high-throughput screening: Compound shortlisting from gene expression using in silico information
N Aniceto, A Bender, F Nigsch
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2018)
256,
Understanding drug and compound combinations and modelling synergy - Methods and applications
A Bender
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2018)
256,
Advances in computational NMR structure elucidation by DP4: Automation, optimisation and raw data analysis
K Ermanis, A Howarth, J Goodman
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2018)
256,
Analysing matched molecular pair transformations in drug discovery projects as a function of time and molecular environment
S Ashenden, T Kogej, O Engkvist, E Rivers, A Madin, K Goldberg, I Storer, A Bender
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2018)
256,
Information-derived adverse outcome pathways with a case study on structural cardiotoxicity
A Bender
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2018)
256,
Chemically relevant conformation clustering: Applications to reaction exploration and calculation of spectra
K Ermanis, J Goodman
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2018)
256,
Bio-inspired photonics: From nature to applications
S Vignolini
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2018)
256,
MD-assisted approach for designing multi-target ligands at A2AR and PDE10A that elevate cyclic AMP
L Kalash, I Winfield, D Safitri, M Bermudez, R Glen, G Ladds, A Bender
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2018)
256,
Understanding the effect of arsenic treatment on breast cancer cell lines using gene expression analysis
LL Pruteanu, C Braicu, D Modos, A Jurj, L Raduly, R Cojocneanu-Petric, A Moldovan, A Bender, I Berindan-Neagoe
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2018)
256,
Artificial intelligence for predicting molecular electrostatic potentials (ESPs): A step towards developing ESP-guided knowledge-based scoring functions
M Verdonk, R Lewis, A Bender, P Rathi
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2018)
256,
Discovery of a non-toxic [1,2,4]triazolo[1,5-a]pyrimidin-7-one (WS-10) that modulates ABCB1-mediated multidrug resistance (MDR)
L Chang, M Xiao, L Yang, S Wang, S-Q Wang, A Bender, A Hu, Z-S Chen, B Yu, H-M Liu
– Bioorganic & medicinal chemistry
(2018)
26,
5006
A measurement-based verification framework for UK greenhouse gas emissions: An overview of the Greenhouse gAs Uk and Global Emissions (GAUGE) project
PI Palmer, S O'Doherty, G Allen, K Bower, H Bösch, MP Chipperfield, S Connors, S Dhomse, L Feng, DP Finch, MW Gallagher, E Gloor, S Gonzi, NRP Harris, C Helfter, N Humpage, B Kerridge, D Knappett, RL Jones, M Le Breton, MF Lunt, AJ Manning, S Matthiesen, JBA Muller, N Mullinger, E Nemitz, S O'Shea, RJ Parker, CJ Percival, J Pitt, SN Riddick, M Rigby, H Sembhi, R Siddans, RL Skelton, P Smith, H Sonderfeld, K Stanley, AR Stavert, A Wenger, E White, C Wilson, D Young
– Atmospheric Chemistry and Physics
(2018)
18,
11753
Predicting Pathways between Distant Configurations for Biomolecules.
K Röder, DJ Wales
– Journal of Chemical Theory and Computation
(2018)
14,
4271
Assimilating Radial Distribution Functions To Build Water Models with Improved Structural Properties.
AD Wade, L-P Wang, DJ Huggins
– J Chem Inf Model
(2018)
58,
1766
Computational Studies of the Mechanical Stability for Single-Strand Break DNA.
P Krupa, DJ Wales, AK Sieradzan
– J Phys Chem B
(2018)
122,
8166
On the Role of Heterogeneous Chemistry in Ozone Depletion and Recovery
C Wilka, K Shah, K Stone, S Solomon, D Kinnison, M Mills, A Schmidt, RR Neely
– Geophysical Research Letters
(2018)
45,
7835