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Publications by Dr Andreas Bender

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
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
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
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
The challenges involved in modeling toxicity data in silico: a review.
MP Gleeson, S Modi, A Bender, RLM Robinson, J Kirchmair, M Promkatkaew, S Hannongbua, RC Glen
– Current Pharmaceutical Design
(2012)
18,
1266
Predicting genes involved in human cancer using network contextual information.
H Rahmani, H Blockeel, A Bender
– Journal of integrative bioinformatics
(2012)
9,
210
Diversity-oriented synthesis
WRJD Galloway, RJ Spandl, A Bender, GL Thomas, M Diaz-Gavilan, KMG O'connell, DR Spring
(2012)
39
Using multiobjective optimization and energy minimization to design an isoform-selective ligand of the 14-3-3 protein
H Sanchez-Faddeev, MTM Emmerich, FJ Verbeek, AH Henry, S Grimshaw, HP Spaink, HW Van Vlijmen, A Bender
– Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)
(2012)
7610 LNCS,
12
Cheminformatics
JK Wegner, A Sterling, R Guha, A Bender, JL Faulon, J Hastings, N O'Boyle, J Overington, H Van Vlijmen, E Willighagen
– Communications of the ACM
(2012)
55,
65
The challenges involved in modeling toxicity data in silico: A review
MP Gleeson, S Modi, A Bender, RL Marchese Robinson, J Kirchmair, M Promkatkaew, S Hannongbua, RC Glen
– Current Pharmaceutical Design
(2012)
18,
1266
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
– Journal of Chemical Information and Modeling
(2012)
52,
617
A prospective cross-screening study on G-protein-coupled receptors: lessons learned in virtual compound library design.
MPA Sanders, L Roumen, E van der Horst, JR Lane, HF Vischer, J van Offenbeek, H de Vries, S Verhoeven, KY Chow, F Verkaar, MW Beukers, R McGuire, R Leurs, AP Ijzerman, J de Vlieg, IJP de Esch, GJR Zaman, JPG Klomp, A Bender, C de Graaf
– J Med Chem
(2012)
55,
5311
A-Ring Dihalogenation Increases the Cellular Activity of Combretastatin-Templated Tetrazoles
TM Beale, DM Allwood, A Bender, PJ Bond, JD Brenton, DS Charnock-Jones, SV Ley, RM Myers, JW Shearman, J Temple, J Unger, CA Watts, J Xian
– ACS Med Chem Lett
(2012)
3,
177

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