Andreas ('Anoop') Bender, PhD

Lecturer at the Unilever Centre for Molecular Science Informatics, part of the Department of Chemistry of the University of Cambridge. Coming to town? Just let me know and we will go for Formal Hall or a good round of punting!

PhD Studentship Available for start in October 2013 (or subsequent terms) in collaboration with AstraZeneca - see http://www.jobs.cam.ac.uk/job/1284/ for details and on how to apply.

Our work on the Mode-of-Action Analysis of Ayurvedic and Traditional Chinese Medicines has been featured on BBC Mundo: "Descifrando la medicina ancestral asiática"






My Chromosomes


Next talks:

BrazMedChem 2014
Sao Carlos, Brazil, 9-13 November 2014

SLAS (Society for Laboratory Automation & Screening) 2014
San Diego, California/US, 18-22 January 2014

iPoPS 2013
Shah Alam, Malaysia, 4/5 September 2013

eSSENCE International Workshop on Macromolecular Structure and Dynamics
Uppsala, Sweden, 3-5 June 2013

Informa Drug Discovery Innovations
Berlin, Germany, 19/20 March 2013

Advances and Progress in Drug Design
London, UK, 18-19 February 2013

UiTM Academic Conference 2013
Kuala Lumpur, Malaysia, 29-30 January 2013

German Cheminformatics Conference 2012
Goslar, Germany, 11-13 November 2012

MipTec 2012
Basle, Switzerland, 24-27 September 2012

Symposium on Computational Chemical Biology
Manchester, UK, 13 September 2012

22nd International Symposium on Medicinal Chemistry (EFMC-ISMC 2012)
Berlin, Germany, 2-6 September 2012

2012 Sino-American Symposium on Clinical and Translational Medicine (SAS-CTM)
Shanghai, China, 27-29 June 2012

SocBIN Bioinformatics 2012
Stockholm, Sweden, 11-14 June 2012

Good Practice in Traditional Chinese Medicine (GP-TCM)
Leiden, The Netherlands, 15-18 April 2012

RIKEN Chemical Biology Symposium
Wako, Japan, 20-21 October 2011

47th International Conference on Medicinal Chemistry (Plenary Lecture)
Lyon, France, 6-8 July 2011

Frontiers in Medicinal Chemistry 2011
Saarbruecken, Germany, 20-23 March 2011

Global Discovery & Development Innovation Forum 2011
London, U. K., 7-8 March 2011

World Drug Discovery & Development Summit 2010
Copenhagen, Denmark, 26-27 October 2010

XIXth LACDR School on Medicinal Chemistry
Oegstgeest, The Netherlands, 19-22 October 2010

UK QSAR Meeting Fall 2010
Cambridge, UK, 12 October 2010

FIGON Dutch Medicines Days 2010
Lunteren, The Netherlands, 4-6 October 2010

21st International Symposium on Medicinal Chemistry
Brussels, Belgium, 5-9 September 2010

Second Strasbourg Summer School on Chemoinformatics
Obernai, France, 20-24 June 2010

Bio-IT World 2010
Boston/MA, 20-22 April 2010

British Toxicology Society Annual Meeting 2010
Edinburgh, 28-31 March 2010

In silico discovery of molecular probes and drug-like compounds: Success & Challenges
Ile de France, France, 23-25 March 2010

Fragment-Based Lead Design 2009
York/UK, 20-23 September 2009

DrugInfoMeet
Cochin/India, 19-21 August 2009

Bio-IT World Conference & Expo
Boston/USA, 27-29 April 2009

Addis Ababa University
Addis Ababa/Ethiopia, 9 January 2009

MIPTEC '08
Basel/Switzerland, 14-16 October 2008

Virtual Discovery Europe
Amsterdam/The Netherlands, 19-20 June 2008

8th International Conference on Chemical Structures
Noordwijkerhout/The Netherlands, 1-5 June 2008

Bio-IT World Conference & Expo
Boston/USA, 28-30 April 2008

6th Annual Congress: G Protein-Coupled Receptors in Drug Discovery
Berlin/Germany, 10-13 March 2008







Recent publications (More Publications)
98. Significantly Improved HIV Inhibitor Efficacy Prediction Employing Proteochemometric Models Generated From Antivirogram Data.
Gerard J. P. van Westen, et al., PLoS Comp. Biol. 2013 (9) e1002899.


read article
97. Chemogenomics Approaches to Rationalizing the Mode-of-Action of Traditional Chinese and Ayurvedic Medicines.
Fazlin Mohd Fauzi, et al., J. Chem. Inf. Model. 2013 (53) 661 - 673.


read article
96. Experimental Validation of In Silico Target Predictions on Synergistic Protein Targets.
Isidro Cortes-Ciriano, et al., MedChemComm 2013 (4) 278 - 288.


read article
95. Identifying Novel Adenosine Receptor Ligands by Simultaneous Proteochemometric Modeling of Rat and Human Bioactivity Data.
Gerard J. P. van Westen, et al., J. Med Chem. 2012 (55) 7010 - 7020.


read article
94. A Two-Directional Strategy for the Diversity-Oriented Synthesis of Macrocyclic Scaffolds.
Kieron O'Connell, et al., Org. Biomol. Chem. 2012 (10) 7545 - 7551.


read article
93. Using multiobjective optimization and energy minimization to design an isoform-selective ligand of the 14-3-3 protein.
Hernando Sanchez-Faddeev, et al., Lect. Notes. Comput. Sci. 2012 (7610) 12 - 24.


read article
92. Multi-Objective Evolutionary Design of Adenosine Receptor Ligands.
Eelke van der Horst, et al., J. Chem. Inf. Model. 2012 (52) 1713 - 1721.


read article
91. Predicting Genes Involved in Human Cancer Using Network Contextual Information.
Hossein Rahmani, et al., J. Integr. Bioinf. 2012 (9) 210.


read article
90. A Prospective Cross-Screening Study on G Protein-Coupled Receptors: Lessons Learned in Virtual Compound Library Design.
Marijn P. A. Sanders, et al., J. Med Chem. 2012 (55) 5311 - 5325.


read article
89. Cheminformatics.
Joerg K. Wegner, et al., Comm. ACM 2012 (55) 65 - 75.


read article
88. Recognizing Pitfalls in Virtual Screening: A Critical Review.
Thomas Scior, et al., J. Chem. Inf. Model. 2012 (52) 867 - 881.


read article
87. A-Ring Dihalogenation Increases the Cellular Activity of Combretastatin-Templated Tetrazoles.
Thomas M. Beale, et al., ACS Med. Chem. Lett 2012 (3) 177 - 181.


read article
86. Computational Prediction of Metabolism: Sites, Products, SAR, P450 Enzyme Dynamics, and Mechanisms.
Johannes Kirchmair, et al., J. Chem. Inf. Model. 2012 (52) 617 - 648.


read article
85. The challenges involved in Modeling Toxicity Data in silico: A Review.
M. Paul Gleeson, et al., Curr. Pharm. Des. 2012 (18) 1266 - 1291.


read article
84. Bridging Chemical and Biological Data: Implications for Pharmaceutical Drug Discovery.
Jeremy L. Jenkins et al., in Computational Approaches in Cheminformatics and Bioinformatics. Rajarshi Guha and Andreas Bender (Eds.), Wiley, New York 2011.


read article
83. Understanding and Classifying Metabolite Space and Metabolite-Likeness.
Julio E. Peironcely, Theo Reijmers, Leon Coulier, Andreas Bender and Thomas Hankemeier, PLoS One 2011 e28966.


read article
82. Which Compound to Select in Lead Optimization? Prospectively Validated Proteochemometric Models Guide Preclinical Development.
Gerard J.P. van Westen, Jörg K. Wegner, Peggy Geluykens, Leen Kwanten, Inge Vereycken, Anik Peeters, Adriaan P. IJzerman, Herman W.T. van Vlijmen and Andreas Bender, PLoS One 2011 e27518.


read article
81. Substructure-Based Virtual Screening for Adenosine A2A Receptor Ligands.
Eelke van der Horst, Rianne van der Pijl, Thea Mulder-Krieger, Andreas Bender, and Adriaan P. IJzerman, ChemMedChem 2011 (12) 2302 - 2311.


read article

80. Collaboration-based Function Prediction in Protein-Protein Interaction Networks.
Hossein Rahmahi, Hendrik Blockeel and Andreas Bender, Proc. IDA (Lect. Notes Comput. Sci.) 2011 (7014) 318 - 327.


read article

79. Interaction-Based Feature Selection for Predicting Cancer-Related Proteins in Protein-Protein Interaction Networks.
Hossein Rahmahi, Hendrik Blockeel and Andreas Bender, Proc. 5th Int. Workshop in Machine Learn. Syst. Biol. (MLSB11) 2011.


read article

78. From in silico target prediction to multi-target drug design: Current databases, methods and applications.
Alexios Koutsoukas, Benjamin Simms, Johannes Kirchmair, Peter J. Bond, Alan V. Whitmore, Steven Zimmer, Malcolm P. Young, Jeremy L. Jenkins, Meir Glick, Robert C. Glen and Andreas Bender, J. Proteomics 2011 (74) 2554 - 2574.


read article

77. Online Chemical Modeling Environment (OCHEM): Web Platform for Data Storage, Model Development and Publishing of Chemical Information.
Iurii Sushko et al., J. Comput.-Aided Mol. Des. 2011 (25) 533 - 554.


read article

76. P-glycoprotein Substrate Models Using Support Vector Machines Based on a Comprehensive Dataset.
Zhi Wang, Yuanying Chen, Hu Liang, Andreas Bender, Robert Glen and Aixia Yan, J. Chem. Inf. Model 2011 (51) 1447 - 1456.


read article

75. Efficient calculation of compound similarity based on maximum common subgraphs and its application to prediction of gene transcript levels.
Rogier J.P. van Berlo, Marco J.L. de Groot, Andreas Bender, Peter J.T. Verheijen, Marcel J.T. Reinders and Dick de Ridder, Int. J. Bioinf. Res. Appl. 2011 (in press)


read article
74. Diversity-oriented synthesis of macrocyclic peptidomimetics.
Albert Isidro-Llobet, Tiffanie Murillo, Paula Bello, Agostino Cilibrizzia, James T. Hodgkinson, Warren R. J. D. Galloway, Andreas Bender, Martin Welch and David R. Spring, Proc. Natl. Acad. Sci. USA 2011 (108) 6793 - 6798.


read article

73. Increased Diversity of Libraries from Libraries: Chemoinformatic Analysis of Bis-Diazacyclic Libraries.
Fabian Lopez-Vallejo, Adel Nefzi, Andreas Bender, John R. Owen, Ian T. Nabney, Richard A. Houghten and Jose L. Medina-Franco, Chem. Biol. Drug Des. 2011 (77) 328 - 342.


read article

72. Chemogenomics Approaches for Receptor Deorphanization and Extensions of the Chemogenomics Concept to Phenotypic Space.
Eelke van der Horst, Julio E. Peironcely, Gerard J. P. van Westen, Olaf O. van den Hoven, Warren R. J. D. Galloway, David R. Spring, Joerg K. Wegner, Herman W. T. van Vlijmen, Ad P. IJzerman, John P. Overington and Andreas Bender, Curr. Top. Med. Chem. 2011 (11) 1964 - 1977.


read article
71. Proteochemometric modeling as a tool to design selective compounds and for extrapolating to novel targets.
Gerard J. P. van Westen, Joerg K. Wegner, Adriaan P. IJzerman, Herman W. T. van Vlijmen and Andreas Bender, MedChemComm 2011 (2) 16 - 30.


read article

70. Bayesian Methods in Virtual Screening and Chemical Biology.
Andreas Bender, In: Bayesian Methods in Virtual Screening and Chemical Biology, Jurgen Bajorath (Ed.), Meth. Mol. Biol. 2011 (672) 175 - 196.


read article

More Publications

What's up in Bangalore?

According to Maldacena, our universe may be a three-dimensional membrane living in a four-dimensional anti de Sitter space. 'This picture is looking increasingly plausible' says Prof Duff. - The Daily Telegraph, 7 August 2002
I actually like theoretical physicists, but they tend to oversimplify things.

Although antigen expressed in potato for use in humans was effective in animals, the cooking required for human consumption of the vegetable destroyed the immunogenocity of the antigen. - Drug Discovery and Development, H P Rang (ed.), 1st edition, p. 190.
Yep folks, that's science.

Too much information is no information. - unknown

Wer Sicherheit der Freiheit vorzieht ist zu Recht ein Sklave. - Aristoteles
(Those who prefer safety to freedom are slaves, and rightly so.)

Nichts ist einfach wenn man's doppelt nimmt. - My Grandmother
(Nothing to add here).

Wenn ich Du waere, waere ich lieber ich. - Unknown
(If I were you I'd rather be me.)

Der Unterschied zwischen Theorie und Praxis ist in der Theorie groesser als in der Praxis. - Unknown
(The difference between theory and practice is bigger in theory than in practice.)

Horae vulnerant, ultima necat.
(Every hour hurts, the last one kills.)