skip to content
 

Publications by Dr Andreas Bender

Computer-aided (in silico) approaches in the mode-of-action analysis and safety assessment of Ostarine and 4-methylamphetamine
F Mohd Fauzi, A Koutsoukas, A Cunningham, A Gallegos, R Sedefov, A Bender
– Hum Psychopharmacol
(2013)
28,
365
Diversity Selection of Compounds Based on ‘Protein Affinity Fingerprints’ Improves Sampling of Bioactive Chemical Space
HP Nguyen, A Koutsoukas, F Mohd Fauzi, G Drakakis, M Maciejewski, RC Glen, A Bender
– Chem Biol Drug Des
(2013)
82,
252
Significantly improved HIV inhibitor efficacy prediction employing proteochemometric models generated from antivirogram data.
GJP van Westen, A Hendriks, JK Wegner, AP Ijzerman, HWT van Vlijmen, A Bender
– PLoS computational biology
(2013)
9,
e1002899
Chemogenomics approaches to rationalizing the mode-of-action of traditional Chinese and Ayurvedic medicines.
F Mohd Fauzi, A Koutsoukas, R Lowe, K Joshi, T-P Fan, RC Glen, A Bender
– J Chem Inf Model
(2013)
53,
661
Design, synthesis, and biological evaluation of an allosteric inhibitor of HSET that targets cancer cells with supernumerary centrosomes
CA Watts, FM Richards, A Bender, PJ Bond, O Korb, O Kern, M Riddick, P Owen, RM Myers, J Raff, F Gergely, DI Jodrell, SV Ley
– Chemistry and Biology
(2013)
20,
1399
Experimental validation of in silico target predictions on synergistic protein targets
I Cortes-Ciriano, A Koutsoukas, O Abian, RC Glen, A Velazquez-Campoy, A Bender
– MedChemComm
(2013)
4,
278
Are phylogenetic trees suitable for chemogenomics analyses of bioactivity data sets: the importance of shared active compounds and choosing a suitable data embedding method, as exemplified on Kinases
S Paricharak, T Klenka, M Augustin, UA Patel, A Bender
– Journal of Cheminformatics
(2013)
5,
49
Benchmarking of protein descriptor sets in proteochemometric modeling (part 2): Modeling performance of 13 amino acid descriptor sets
GJ van Westen, RF Swier, JK Wegner, AP Ijzerman, HW van Vlijmen, A Bender
– Journal of Cheminformatics
(2013)
5,
41
Benchmarking of protein descriptor sets in proteochemometric modeling (part 1): Comparative study of 13 amino acid descriptor sets
GJ van Westen, RF Swier, I Cortes-Ciriano, JK Wegner, JP Overington, AP Ijzerman, HW van Vlijmen, A Bender
– Journal of Cheminformatics
(2013)
5,
42
Efficient calculation of compound similarity based on maximum common subgraphs and its application to prediction of gene transcript levels
RJPV Berlo, W Winterbach, MJLD Groot, A Bender, PJT Verheijen, MJT Reinders, DD Ridder
– Int J Bioinform Res Appl
(2013)
9,
407
Experimental confirmation of new drug-target interactions predicted by Drug Profile Matching.
L Végner, Á Peragovics, L Tombor, B Jelinek, P Czobor, A Bender, Z Simon, A Málnási-Csizmadia
– J Med Chem
(2013)
56,
8377
Linking Ayurveda and Western medicine by integrative analysis.
FM Fauzi, A Koutsoukas, R Lowe, K Joshi, T-P Fan, RC Glen, A Bender
– Journal of Ayurveda and integrative medicine
(2013)
4,
117
Exploring activity landscapes through molecular reference structures
D Marcus, HY Mussa, A Bender, RC Glen
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2012)
244,
A two-directional strategy for the diversity-oriented synthesis of macrocyclic scaffolds.
KMG O'Connell, HSG Beckmann, L Laraia, HT Horsley, A Bender, AR Venkitaraman, DR Spring
– Org Biomol Chem
(2012)
10,
7545
Identifying Novel Adenosine Receptor Ligands by Simultaneous Proteochemometric Modeling of Rat and Human Bioactivity Data
GJP van Westen, OO van den Hoven, R van der Pijl, T Mulder-Krieger, H de Vries, JK Wegner, AP Ijzerman, HWT van Vlijmen, A Bender
– J Med Chem
(2012)
55,
7010
Multi-objective evolutionary design of adenosine receptor ligands.
E van der Horst, P Marqués-Gallego, T Mulder-Krieger, J van Veldhoven, J Kruisselbrink, A Aleman, MTM Emmerich, J Brussee, A Bender, AP Ijzerman
– J Chem Inf Model
(2012)
52,
1713
Recognizing pitfalls in virtual screening: A critical review
T Scior, A Bender, G Tresadern, JL Medina-Franco, K Martínez-Mayorga, T Langer, K Cuanalo-Contreras, DK Agrafiotis
– J Chem Inf Model
(2012)
52,
867
Discovery of potent and selective adenosine receptor ligands via multi-objective design
D Rodriguez, E Sotelo, H Gutierrez-de-Teran, A Bender
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2012)
243,
Discovery, design and synthesis of a novel series of non-peptidomimetic inhibitors of XIAP-caspase 9 interactions
DM Allwood, RM Myers, F Richards, A Bender, C Watts, SV Ley
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2012)
243,
Computational prediction of metabolism: sites, products, SAR, P450 enzyme dynamics, and mechanisms.
J Kirchmair, MJ Williamson, JD Tyzack, L Tan, PJ Bond, A Bender, RC Glen
– J Chem Inf Model
(2012)
52,
617

Pages