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Department of Chemistry

 

Publications by Dr Andreas Bender

Substructure-based virtual screening for adenosine A2A receptor ligands.
E van der Horst, R van der Pijl, T Mulder-Krieger, A Bender, AP Ijzerman
– ChemMedChem
(2011)
6,
2302
(DOI: 10.1002/cmdc.201100369)
Libraries from Libraries: Comprehensive characterization of molecular diversity of bis-diazacyclic libraries
F Lopez-Vallejo, A Nefzi, A Bender, JR Owen, IT Nabney, RA Houghten, JL Medina-Franco
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2011)
242,
P-glycoprotein substrate models using support vector machines based on a comprehensive data set
Z Wang, Y Chen, H Liang, A Bender, RC Glen, A Yan
– J Chem Inf Model
(2011)
51,
1447
(DOI: 10.1021/ci2001583)
Ask the experts: focus on computational chemistry.
J Bajorath, ML Barreca, A Bender, R Bryce, M Hutter, C Laggner, C Laughton, Y Martin, J Mitchell, A Padova, S Renner, PM Selzer, W Sherman, W Sippl, C Taft, T Tuccinardi, G Vistoli, P Willett
– Future Med Chem
(2011)
3,
909
(DOI: 10.4155/FMC.11.57)
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
– J Comput Aided Mol Des
(2011)
25,
533
(DOI: 10.1007/s10822-011-9440-2)
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
(DOI: 10.1016/j.jprot.2011.05.011)
Online chemical modeling environment (OCHEM): Web platform for data storage, model development and publishing of chemical information
I Sushko, AK Pandey, S Novotarskyi, R Körner, 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, II Baskin, VA Palyulin, EV Radchenko, WJ Welsh, V Kholodovych, D Chekmarev, A Cherkasov, J Aires-De-Sousa, QY Zhang, A Bender, F Nigsch, L Patiny, A Williams, V Tkachenko, IV Tetko
– Journal of Cheminformatics
(2011)
3,
P20
(DOI: 10.1186/1758-2946-3-S1-P20)
Chemogenomics approaches for receptor deorphanization and extensions of the chemogenomics concept to phenotypic space
E van der Horst, JE Peironcely, GJP van Westen, OO van den Hoven, WRJD Galloway, DR Spring, JK Wegner, HWT van Vlijmen, AP Ijzerman, JP Overington, A Bender
– Current Topics in Medicinal Chemistry
(2011)
11,
1964
(DOI: 10.2174/156802611796391230)
Diversity-oriented synthesis of macrocyclic peptidomimetics
A Isidro-Llobet, T Murillo, P Bello, A Cilibrizzi, JT Hodgkinson, WRJD Galloway, A Bender, M Welch, DR Spring
– Proceedings of the National Academy of Sciences of the United States of America
(2011)
108,
6793
(DOI: 10.1073/pnas.1015267108)
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
– Chem Biol Drug Des
(2011)
77,
328
(DOI: 10.1111/j.1747-0285.2011.01100.x)
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
(DOI: 10.1016/j.jprot.2011.05.011)
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
(DOI: 10.1111/j.1747-0285.2011.01100.x)
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
(DOI: 10.1039/C0MD00165A)
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
(DOI: 10.1371/journal.pone.0027518)
Computational Approaches in Cheminformatics and Bioinformatics
R Guha, A Bender
– Computational Approaches in Cheminformatics and Bioinformatics
(2011)
(DOI: 10.1002/9781118131411)
Bayesian methods in virtual screening and chemical biology.
A Bender
– Methods Mol Biol
(2011)
672,
175
(DOI: 10.1007/978-1-60761-839-3_7)
Understanding and classifying metabolite space and metabolite-likeness.
JE Peironcely, T Reijmers, L Coulier, A Bender, T Hankemeier
– PLoS One
(2011)
6,
e28966
(DOI: 10.1371/journal.pone.0028966)
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
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
(DOI: 10.1002/9781118131411.ch2)

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