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Publications by Dr Andreas Bender

Increased Diversity of Libraries from Libraries: Chemoinformatic Analysis of Bis-Diazacyclic Libraries
F López-Vallejo, A Nefzi, A Bender, JR Owen, IT Nabney, RA Houghten, JL Medina-Franco
– Chemical Biology and Drug Design
(2011)
77,
328
From in silico target prediction to multi-target drug design: Current databases, methods and applications
A Koutsoukas, B Simms, J Kirchmair, PJ Bond, AV Whitmore, S Zimmer, MP Young, JL Jenkins, M Glick, RC Glen, A Bender
– Journal of Proteomics
(2011)
74,
2554
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information
I Sushko, S Novotarskyi, R Körner, AK Pandey, M Rupp, W Teetz, S Brandmaier, A Abdelaziz, VV Prokopenko, VY Tanchuk, R Todeschini, A Varnek, G Marcou, P Ertl, V Potemkin, M Grishina, J Gasteiger, C Schwab, II Baskin, VA Palyulin, EV Radchenko, WJ Welsh, V Kholodovych, D Chekmarev, A Cherkasov, J Aires-de-Sousa, Q-Y Zhang, A Bender, F Nigsch, L Patiny, A Williams, V Tkachenko, IV Tetko
– Journal of Computer-Aided Molecular Design
(2011)
1
Understanding and classifying metabolite space and metabolite-likeness.
JE Peironcely, T Reijmers, L Coulier, A Bender, T Hankemeier
– PLoS One
(2011)
6,
e28966
Bridging Chemical and Biological Data: Implications for Pharmaceutical Drug Discovery
JL Jenkins, J Scheiber, D Mikhailov, A Bender, A Schuffenhauer, B Cornett, V Chan, J Kondracki, B Rohde, JW Davies
– Computational Approaches in Cheminformatics and Bioinformatics
(2011)
25
Computational Approaches in Cheminformatics and Bioinformatics
R Guha, A Bender
– Computational Approaches in Cheminformatics and Bioinformatics
(2011)
Computational Approaches in Cheminformatics and Bioinformatics
R Guha, A Bender
– Computational Approaches in Cheminformatics and Bioinformatics
(2011)
Which Compound to Select in Lead Optimization? Prospectively Validated Proteochemometric Models Guide Preclinical Development
GJP van Westen, JK Wegner, P Geluykens, L Kwanten, I Vereycken, A Peeters, AP Ijzerman, HWT van Vlijmen, A Bender
– PLoS One
(2011)
6,
e27518
Collaboration-Based Function Prediction in Protein-Protein Interaction Networks
H Rahmani, H Blockeel, A Bender
– Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)
(2011)
7014 LNCS,
318
How similar are those molecules after all? Use two descriptors and you will have three different answers.
A Bender
– Expert Opinion on Drug Discovery
(2010)
5,
1141
Virtual activity profiling of bioactive molecules by 1D fingerprinting
A Sebastian, A Bender, V Ramakrishnan
– Mol Inform
(2010)
29,
773
Nonsubjective clustering scheme for multiconformer databases
AB Yongye, A Bender, K Martinez-Mayorga
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2010)
240,
Scaffold diversity analysis using scaffold retrieval curves and an entropy-based measure
JL Medina-Franco, K Martinez-Mayorga, A Bender, T Scior
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2010)
240,
Dynamic clustering threshold reduces conformer ensemble size while maintaining a biologically relevant ensemble
AB Yongye, A Bender, K Martínez-Mayorga
– J Comput Aided Mol Des
(2010)
24,
675
A novel chemogenomics analysis of G protein-coupled receptors (GPCRs) and their ligands: a potential strategy for receptor de-orphanization.
E van der Horst, JE Peironcely, AP Ijzerman, MW Beukers, JR Lane, HWT van Vlijmen, MTM Emmerich, Y Okuno, A Bender
– BMC bioinformatics
(2010)
11,
316
Prospective validation of a comprehensive in silico hERG model and its applications to commercial compound and drug databases.
MR Doddareddy, EC Klaasse, Shagufta, AP Ijzerman, A Bender
– ChemMedChem
(2010)
5,
716
DATABASES Compound bioactivities go public
A Bender
– Nature Chemical Biology
(2010)
6,
309
Mining protein dynamics from sets of crystal structures using “consensus structures”
GJP van Westen, JK Wegner, A Bender, AP Ijzerman, HWT van Vlijmen
– Protein Science
(2010)
19,
742
Metabolite identification pipeline based on MS fragmentation
M Rojas-Cherto, JE Peironcely, PT Kasper, A Bender, JL Faulon, T Reijmers, L Coulier, R Vreeken, T Hankemeier
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2010)
239,
Knowledge-based and computational approaches to in vitro safety pharmacology
J Scheiber, A Bender, K Azzaoui, J Jenkins
(2010)
43,
297

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