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Yusuf Hamied Department of Chemistry

 

Publications by Professor Andreas Bender

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 medicinal chemistry
(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
– Journal of computer-aided molecular design
(2011)
25,
533
(DOI: 10.1007/s10822-011-9440-2)
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
– Journal of Chemical Information and Modeling
(2011)
51,
1447
(DOI: 10.1021/ci2001583)
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
– J 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)
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)
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
(2011)
108,
6793
(DOI: 10.1073/pnas.1015267108)
Increased Diversity of <i>Libraries from Libraries</i>: 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)
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
(DOI: 10.1007/978-3-642-24800-9_30)
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
Computational Approaches in Cheminformatics and Bioinformatics
R Guha, A Bender
– Computational Approaches in Cheminformatics and Bioinformatics
(2011)
Combining Aggregation with Pareto Optimization: A Case Study in Evolutionary Molecular Design
JW Kruisselbrink, MTM Emmerich, T Back, A Bender, AP IJzerman, E van der Horst
– Lecture Notes in Computer Science
(2010)
5467,
453
(DOI: 10.1007/978-3-642-01020-0_36)
Virtual Activity Profiling of Bioactive Molecules by 1D Fingerprinting.
A Sebastian, A Bender, V Ramakrishnan
– Molecular Informatics
(2010)
29,
773
(DOI: 10.1002/minf.201000075)
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
(DOI: 10.1517/17460441.2010.517832)
Bayesian Methods in Virtual Screening and Chemical Biology
A Bender
– Methods Mol Biol
(2010)
672,
175
(DOI: 10.1007/978-1-60761-839-3_7)
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,
Nonsubjective clustering scheme for multiconformer databases
AB Yongye, A Bender, K Martinez-Mayorga
– ABSTR PAP AM CHEM S
(2010)
240,
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
(DOI: 10.1186/1471-2105-11-316)
Dynamic clustering threshold reduces conformer ensemble size while maintaining a biologically relevant ensemble
AB Yongye, A Bender, K Martínez-Mayorga
– Journal of computer-aided molecular design
(2010)
24,
675
(DOI: 10.1007/s10822-010-9365-1)

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