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Publications by Dr Andreas Bender

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
Preface
R Guha, A Bender
– Computational Approaches in Cheminformatics and Bioinformatics
(2011)
xvii
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
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
Understanding and classifying metabolite space and metabolite-likeness.
JE Peironcely, T Reijmers, L Coulier, A Bender, T Hankemeier
– PLoS One
(2011)
6,
e28966
Computational Approaches in Cheminformatics and Bioinformatics
R Guha, A Bender
– Computational Approaches in Cheminformatics and Bioinformatics
(2011)
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
Proteochemometric modeling as a tool to design selective compounds and for extrapolating to novel targets
GJP van Westen, JK Wegner, AP IJzerman, HWT van Vlijmen, A Bender
– MedChemComm
(2011)
2,
16
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
Bayesian methods in virtual screening and chemical biology.
A Bender
– Methods Mol Biol
(2011)
672,
175
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

Pages