Predicting drug metabolism: experiment and/or computation? von Kirchmair, Johannes, Göller, Andreas H., Lang, Dieter, Kunze, Jens, Testa, Bernard, Wilson, Ian D., Glen, Robert C., Schneider, Gisbert

Volltext

Validating the validation: reanalyzing a large-scale comparison of deep learning and machine learning models for bioactivity prediction von Robinson, Matthew C., Glen, Robert C., Lee, Alpha A.

Volltext

Microbiome-host systems interactions: protective effects of propionate upon the blood-brain barrier von Hoyles, Lesley, Snelling, Tom, Umlai, Umm-Kulthum, Nicholson, Jeremy K, Carding, Simon R, Glen, Robert C, McArthur, Simon

Volltext

Elabela/Toddler Is an Endogenous Agonist of the Apelin APJ Receptor in the Adult Cardiovascular System, and Exogenous Administration of the Peptide Compensates for the Downregulati... von Yang, Peiran, Read, Cai, Kuc, Rhoda E, Buonincontri, Guido, Southwood, Mark, Torella, Rubben, Upton, Paul D, Crosby, Alexi, Sawiak, Stephen J, Carpenter, T Adrian, Glen, Robert C, Morrell, Nicholas W, Maguire, Janet J, Davenport, Anthony P

Volltext

Design, Characterization, and First-In-Human Study of the Vascular Actions of a Novel Biased Apelin Receptor Agonist von Brame, Aimee L, Maguire, Janet J, Yang, Peiran, Dyson, Alex, Torella, Rubben, Cheriyan, Joseph, Singer, Mervyn, Glen, Robert C, Wilkinson, Ian B, Davenport, Anthony P

Volltext

Computational Prediction of Metabolism: Sites, Products, SAR, P450 Enzyme Dynamics, and Mechanisms von Kirchmair, Johannes, Williamson, Mark J, Tyzack, Jonathan D, Tan, Lu, Bond, Peter J, Bender, Andreas, Glen, Robert C

Volltext

Regulation of blood-brain barrier integrity by microbiome-associated methylamines and cognition by trimethylamine N-oxide von Hoyles, Lesley, Pontifex, Matthew G, Rodriguez-Ramiro, Ildefonso, Anis-Alavi, M Areeb, Jelane, Khadija S, Snelling, Tom, Solito, Egle, Fonseca, Sonia, Carvalho, Ana L, Carding, Simon R, Müller, Michael, Glen, Robert C, Vauzour, David, McArthur, Simon

Volltext

Solubility Challenge: Can You Predict Solubilities of 32 Molecules Using a Database of 100 Reliable Measurements? von Llinàs, Antonio, Glen, Robert C, Goodman, Jonathan M

Volltext

In Silico Target Predictions: Defining a Benchmarking Data Set and Comparison of Performance of the Multiclass Naive Bayes and Parzen-Rosenblatt Window von KOUTSOUKAS, Alexios, LOWE, Robert, KALANTARMOTAMEDI, Yasaman, MUSSA, Hamse Y, KLAFLKE, Werner, MITCHELL, John B. O, GLEN, Robert C, BENDER, Andreas

Volltext

Pharmacological targeting of apelin impairs glioblastoma growth von Harford-Wright, Elizabeth, Andre-Gregoire, Gwennan, Jacobs, Kathryn A, Treps, Lucas, Le Gonidec, Sophie, Leclair, Heloise M, Gonzalez-Diest, Sara, Roux, Quentin, Guillonneau, François, Loussouarn, Delphine, Oliver, Lisa, Vallette, François M, Foufelle, Fabienne, Valet, Philippe, Davenport, Anthony P, Glen, Robert C, Bidere, Nicolas, Gavard, Julie

Volltext

Chemical Name to Structure: OPSIN, an Open Source Solution von Lowe, Daniel M, Corbett, Peter T, Murray-Rust, Peter, Glen, Robert C

Volltext

From in silico target prediction to multi-target drug design: Current databases, methods and applications von Koutsoukas, Alexios, Simms, Benjamin, Kirchmair, Johannes, Bond, Peter J., Whitmore, Alan V., Zimmer, Steven, Young, Malcolm P., Jenkins, Jeremy L., Glick, Meir, Glen, Robert C., Bender, Andreas

Volltext

Use of historic metabolic biotransformation data as a means of anticipating metabolic sites using MetaPrint2D and Bioclipse von Carlsson, Lars, Spjuth, Ola, Adams, Samuel, Glen, Robert C, Boyer, Scott

Volltext

G392E neuroserpin causing the dementia FENIB is secreted from cells but is not synaptotoxic von Ingwersen, Thies, Linnenberg, Christian, D’Acunto, Emanuela, Temori, Shabnam, Paolucci, Irene, Wasilewski, David, Mohammadi, Behnam, Kirchmair, Johannes, Glen, Robert C., Miranda, Elena, Glatzel, Markus, Galliciotti, Giovanna

Volltext

Similarity Searching of Chemical Databases Using Atom Environment Descriptors (MOLPRINT 2D):  Evaluation of Performance von Bender, Andreas, Mussa, Hamse Y, Glen, Robert C, Reiling, Stephan

Volltext

P-glycoprotein Substrate Models Using Support Vector Machines Based on a Comprehensive Data set von Wang, Zhi, Chen, Yuanying, Liang, Hu, Bender, Andreas, Glen, Robert C, Yan, Aixia

Volltext

The biased apelin receptor agonist, MM07, reverses Sugen/hypoxia-induced pulmonary arterial hypertension as effectively as the endothelin antagonist macitentan von Williams, Thomas L, Nyimanu, Duuamene, Kuc, Rhoda E, Foster, Richard, Glen, Robert C, Maguire, Janet J, Davenport, Anthony P

Volltext

Prediction of Cytochrome P450 Xenobiotic Metabolism: Tethered Docking and Reactivity Derived from Ligand Molecular Orbital Analysis von Tyzack, Jonathan D, Williamson, Mark J, Torella, Rubben, Glen, Robert C

Volltext

Cerebrovascular damage caused by the gut microbe/host co-metabolite p-cresol sulfate is prevented by blockade of the EGF receptor von Shah, Sita N., Knausenberger, Tobias B-A., Pontifex, Matthew G., Connell, Emily, Le Gall, Gwénaëlle, Hardy, Tom A.J., Randall, David W., McCafferty, Kieran, Yaqoob, Muhammad M., Solito, Egle, Müller, Michael, Stachulski, Andrew V., Glen, Robert C., Vauzour, David, Hoyles, Lesley, McArthur, Simon

Volltext

The G Protein Biased Small Molecule Apelin Agonist CMF-019 is Disease Modifying in Endothelial Cell Apoptosis In Vitro and Induces Vasodilatation Without Desensitisation In Vivo von Read, Cai, Nyimanu, Duuamene, Yang, Peiran, Kuc, Rhoda E, Williams, Thomas L, Fitzpatrick, Christopher M, Foster, Richard, Glen, Robert C, Maguire, Janet J, Davenport, Anthony P

Volltext