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Yusuf Hamied Department of Chemistry

 

Publications by Professor Andreas Bender

Extending in silico protein target prediction models to include functional effects
LH Mervin, AM Afzal, L Brive, O Engkvist, A Bender
– Front Pharmacol
(2018)
9,
613
(DOI: 10.3389/fphar.2018.00613)
Can the inhibition of cytochrome P450 in aquatic invertebrates due to azole fungicides be estimated with <i>in silico</i> and <i>in vitro</i> models and extrapolated between species?
M Gottardi, JD Tyzack, A Bender, N Cedergreen
– Aquatic Toxicology
(2018)
201,
11
(DOI: 10.1016/j.aquatox.2018.05.017)
A Fast and Quantitative Method for Post-translational Modification and Variant Enabled Mapping of Peptides to Genomes.
CN Schlaffner, GJ Pirklbauer, A Bender, JAJ Steen, JS Choudhary
– Journal of visualized experiments : JoVE
(2018)
2018,
57633
(DOI: 10.3791/57633)
Conformal Regression for Quantitative Structure-Activity Relationship Modeling-Quantifying Prediction Uncertainty
F Svensson, N Aniceto, U Norinder, I Cortes-Ciriano, O Spjuth, L Carlsson, A Bender
– Journal of chemical information and modeling
(2018)
58,
1132
(DOI: 10.1021/acs.jcim.8b00054)
A systematic and prospectively validated approach for identifying synergistic drug combinations against malaria.
Y KalantarMotamedi, RT Eastman, R Guha, A Bender
– Malaria journal
(2018)
17,
160
(DOI: 10.1186/s12936-018-2294-5)
Special Issue: Cheminformatics in Drug Discovery.
A Bender, N Brown
– ChemMedChem
(2018)
13,
467
(DOI: 10.1002/cmdc.201800123)
eMolTox: prediction of molecular toxicity with confidence.
C Ji, F Svensson, A Zoufir, A Bender
– Bioinformatics (Oxford, England)
(2018)
34,
2508
(DOI: 10.1093/bioinformatics/bty135)
Common structural and pharmacophoric features of mPGES-1 and LTC4S.
NS Devi, P Paragi-Vedanthi, A Bender, M Doble
– Future Med Chem
(2018)
10,
259
(DOI: 10.4155/fmc-2017-0123)
Developments in toxicogenomics: understanding and predicting compound-induced toxicity from gene expression data.
B Alexander-Dann, LL Pruteanu, E Oerton, N Sharma, I Berindan-Neagoe, D Módos, A Bender
– Molecular omics
(2018)
14,
218
(DOI: 10.1039/c8mo00042e)
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,
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,
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,
Binding mode ensembles determine ligand efficacy at a GPCR
M Bermudez, A Bender, G Wolber
– NAUNYN-SCHMIEDEBERGS ARCHIVES OF PHARMACOLOGY
(2018)
391,
S6
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,
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,
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,
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,
Understanding drug and compound combinations and modelling synergy - Methods and applications
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,
Computer-aided design of multi-target ligands at A<sub>1</sub>R, A<sub>2A</sub>R and PDE10A, key proteins in neurodegenerative diseases.
L Kalash, C Val, J Azuaje, MI Loza, F Svensson, A Zoufir, L Mervin, G Ladds, J Brea, R Glen, E Sotelo, A Bender
– Journal of cheminformatics
(2017)
9,
67
(DOI: 10.1186/s13321-017-0249-4)

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