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Currently displaying 1 - 20 of 335 publications

Concordance analysis of microarray studies identifies representative gene expression changes in Parkinson's disease: a comparison of 33 human and animal studies (vol 17, pg 58, 2017)

E Oerton, A Bender

– BMC Neurol

(2019)

19,

(DOI: 10.1186/s12883-019-1240-7)

Maximizing gain in high-throughput screening using conformal prediction.

F Svensson, AM Afzal, U Norinder, A Bender

– Journal of Cheminformatics

(2018)

10,

(DOI: 10.1186/s13321-018-0260-4)

Systemic neurotransmitter responses to clinically approved and experimental neuropsychiatric drugs

HR Noori, LH Mervin, V Bokharaie, Ö Durmus, L Egenrieder, S Fritze, B Gruhlke, G Reinhardt, H-H Schabel, S Staudenmaier, NK Logothetis, A Bender, R Spanagel

– Nature Communications

(2018)

4699

(DOI: 10.1038/s41467-018-07239-1)

Erratum: Discovery of a non-toxic [1,2,4]triazolo[1,5-a]pyrimidin-7-one (WS-10) that modulates ABCB1-mediated multidrug resistance (MDR) (Bioorganic & medicinal chemistry (2018) 26 18 (5006-5017) PII: S0968-0896(18)31826-1)

L Chang, M Xiao, L Yang, S Wang, S-Q Wang, A Bender, A Hu, Z-S Chen, B Yu, H-M Liu

– Bioorg Med Chem

(2018)

26,

5974

(DOI: 10.1016/j.bmc.2018.10.027)

Deep Confidence: A Computationally Efficient Framework for Calculating Reliable Prediction Errors for Deep Neural Networks.

I Cortés-Ciriano, A Bender

– Journal of chemical information and modeling

(2018)

acs.jcim.8b00542

(DOI: 10.1021/acs.jcim.8b00542)

Information-Derived Mechanistic Hypotheses for Structural Cardiotoxicity

F Svensson, A Zoufir, S Mahmoud, AM Afzal, I Smit, KA Giblin, PJ Clements, JT Mettetal, A Pointon, JS Harvey, N Greene, RV Williams, A Bender

– Chemical research in toxicology

(2018)

31,

1119

(DOI: 10.1021/acs.chemrestox.8b00159)

Discovery of a small-molecule inhibitor of specific serine residue BAD phosphorylation

V Pandey, B Wang, CD Mohan, AR Raquib, S Rangappa, V Srinivasa, JE Fuchs, KS Girish, T Zhu, A Bender, L Ma, Z Yin, Basappa, KS Rangappa, PE Lobie

– Proceedings of the National Academy of Sciences of the United States of America

(2018)

115,

E10505

(DOI: 10.1073/pnas.1804897115)

Prospectively Validated Proteochemometric Models for the Prediction of Small-Molecule Binding to Bromodomain Proteins.

KA Giblin, SJ Hughes, H Boyd, P Hansson, A Bender

– Journal of chemical information and modeling

(2018)

58,

1870

(DOI: 10.1021/acs.jcim.8b00400)

Synthesis of Structurally Diverse N-Substituted Quaternary-Carbon-Containing Small Molecules from α,α-Disubstituted Propargyl Amino Esters

N Mateu, SL Kidd, L Kalash, HF Sore, A Madin, A Bender, DR Spring

– Chemistry

(2018)

24,

13681

(DOI: 10.1002/chem.201803143)

Discovering Highly Potent Molecules from an Initial Set of Inactives Using Iterative Screening.

I Cortés-Ciriano, NC Firth, A Bender, O Watson

– Journal of chemical information and modeling

(2018)

58,

2000

(DOI: 10.1021/acs.jcim.8b00376)

Understanding and predicting disease relationships through similarity fusion

E Oerton, I Roberts, PSH Lewis, T Guilliams, A Bender

– Bioinformatics (Oxford, England)

(2018)

(DOI: 10.1093/bioinformatics/bty754)

Structure-based design of allosteric calpain-1 inhibitors populating a novel bioactivity space

L Kalash, J Cresser-Brown, J Habchi, C Morgan, DJ Miller, RC Glen, RK Allemann, A Bender

– European Journal of Medicinal Chemistry

(2018)

157,

1264

(DOI: 10.1016/j.ejmech.2018.08.049)

GBM Drug Bank-a new resource for glioblastoma drug discovery and informatics research

F Svensson, B Westerman, T Würdinger, D Bailey

– Neuro-oncology

(2018)

20,

1680

(DOI: 10.1093/neuonc/noy122)

Understanding drug and compound combinations and modelling synergy - Methods and applications

A Bender