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Yusuf Hamied Department of Chemistry

 
Structure-based identification of dual ligands at the A<sub>2A</sub>R and PDE10A with anti-proliferative effects in lung cancer cell-lines.
L Kalash, I Winfield, D Safitri, M Bermudez, S Carvalho, R Glen, G Ladds, A Bender
– Journal of Cheminformatics
(2021)
13,
17
Comparison of Structure- and Ligand-Based Scoring Functions for Deep Generative Models: A GPCR Case Study
M Thomas, R Smith, NM O’Boyle, CD Graaf, A Bender
(2021)
Combination of Ginsenosides Rb2 and Rg3 Promotes Angiogenic Phenotype of Human Endothelial Cells via PI3K/Akt and MAPK/ERK Pathways.
RJ Choi, SZ Mohamad Zobir, B Alexander-Dann, N Sharma, MKL Ma, BYH Lam, GSH Yeo, W Zhang, T-P Fan, A Bender
– Frontiers in Pharmacology
(2021)
12,
618773
Comparison of Cellular Morphological Descriptors and Molecular Fingerprints for the Prediction of Cytotoxicity- And Proliferation-Related Assays
S Seal, H Yang, L Vollmers, A Bender
– Chemical research in toxicology
(2021)
34,
422
Artificial intelligence in drug discovery: what is realistic, what are illusions? Part 2: a discussion of chemical and biological data
A Bender, I Cortes-Ciriano
– Drug discovery today
(2021)
26,
1040
A demonstration of improved constraints on primordial gravitational waves with delensing
PAR Ade, Z Ahmed, M Amiri, AJ Anderson, JE Austermann, JS Avva, D Barkats, RB Thakur, JA Beall, AN Bender, BA Benson, F Bianchini, CA Bischoff, LE Bleem, JJ Bock, H Boenish, E Bullock, V Buza, JE Carlstrom, CL Chang, JR Cheshire, HC Chiang, TL Chou, R Citron, J Connors, CC Moran, J Cornelison, TM Crawford, AT Crites, M Crumrine, A Cukierman, T De Haan, M Dierickx, MA Dobbs, L Duband, W Everett, S Fatigoni, JP Filippini, S Fliescher, J Gallicchio, EM George, TS Germaine, N Goeckner-Wald, DC Goldfinger, J Grayson, N Gupta, G Hall, M Halpern, NW Halverson, S Harrison, S Henderson, JW Henning, SR Hildebrandt, GC Hilton, GP Holder, WL Holzapfel, JD Hrubes, N Huang, J Hubmayr, H Hui, KD Irwin, J Kang, KS Karkare, E Karpel, S Kefeli, SA Kernasovskiy, L Knox, JM Kovac, CL Kuo, K Lau, AT Lee, EM Leitch, D Li, A Lowitz, A Manzotti, JJ McMahon, KG Megerian, SS Meyer, M Millea, LM Mocanu, L Moncelsi, J Montgomery, A Nadolski, T Namikawa, T Natoli, CB Netterfield, HT Nguyen, JP Nibarger, G Noble, V Novosad, R O'Brient, RW Ogburn, Y Omori, S Padin, S Palladino, S Patil, T Prouve, C Pryke, B Racine, CL Reichardt
– Physical Review D
(2021)
103,
022004
Towards understanding antimicrobial activity, cytotoxicity and the mode of action of dichapetalins A and M using in silico and in vitro studies
MA Chama, D Modos, LH Mervin, KB-A Owusu, DM Ayine-Tora, B Egyir, L Paemka, G Yankson, M Ohashi, AM Afzal, A Bender
– Toxicon
(2021)
193,
28
Prediction and mechanistic analysis of Drug-Induced Liver Injury (DILI) based on chemical structure
A Liu, M Walter, P Wright, A Bartosik, D Dolciami, A Elbasir, H Yang, A Bender
– Biology direct
(2021)
16,
6
Chapter 5. Concepts and Applications of Conformal Prediction in Computational Drug Discovery
I Cortés-Ciriano, A Bender
(2021)
2021-January,
63
Relating early cellular events to Drug-Induced Liver Injury (DILI) using time-resolved transcriptomic and histopathology data
A Liu, N Han, J Munoz-Muriedas, A Bender
– TOXICOLOGY LETTERS
(2021)
350,
S124
Cell morphology descriptors and gene ontology profiles improve prediction for mitochondrial toxicity
S Seal, MA Trapotsi, JC Puigvert, H Yang, O Spjuth, A Bender
– TOXICOLOGY LETTERS
(2021)
350,
S81
A transcriptomics-based new approach methodology (NAM) identifies points of departure (PoDs) of adaptive stress in HepG2 cells
D Basili, B Chambers, M Liddell, J Houghton, A White, I Shah, A Middleton, A Bender
– TOXICOLOGY LETTERS
(2021)
350,
S216
Artificial Intelligence in Drug Discovery and Computational Safety: What is Realistic, What are Illusions?
A Bender
– TOXICOLOGY LETTERS
(2021)
350,
S49
Prediction of inotropic effect based on calcium transients in human iPSC-derived cardiomyocytes using novel waveform parameters and a modified random forest algorithm
H Yang, O Obrezanova, A Pointon, W Stebbeds, J Francis, KA Beattie, P Clements, JS Harvey, GF Smith, A Bender
– TOXICOLOGY LETTERS
(2021)
350,
S61
Inferring longitudinal cascades of mechanistic events in drug-induced liver injury from transcriptomic and histopathology data using sequential pattern and rule mining
A Liu, A Bender, J Munoz-Muriedas
– NAUNYN-SCHMIEDEBERGS ARCHIVES OF PHARMACOLOGY
(2021)
394,
S18
Systematic Analysis of Protein Targets Associated with Adverse Events of Drugs from Clinical Trials and Postmarketing Reports.
IA Smit, AM Afzal, CHG Allen, F Svensson, T Hanser, A Bender
– Chemical Research in Toxicology
(2020)
34,
365
New Associations between Drug-Induced Adverse Events in Animal Models and Humans Reveal Novel Candidate Safety Targets.
KA Giblin, D Basili, AM Afzal, L Rosenbrier-Ribeiro, N Greene, I Barrett, SJ Hughes, A Bender
– Chemical Research in Toxicology
(2020)
34,
438
Artificial intelligence in drug discovery: what is realistic, what are illusions? Part 1: Ways to make an impact, and why we are not there yet
A Bender, I Cortés-Ciriano
– Drug Discovery Today
(2020)
26,
511
Comparison of Scaling Methods to Obtain Calibrated Probabilities of Activity for Protein-Ligand Predictions
LH Mervin, AM Afzal, O Engkvist, A Bender
– Journal of chemical information and modeling
(2020)
60,
4546
Transcriptomics predicts compound synergy in drug and natural product treated glioblastoma cells
L-L Pruteanu, L Kopanitsa, D Módos, E Kletnieks, E Samarova, A Bender, LD Gomez, DS Bailey
– PloS one
(2020)
15,
e0239551