Data-Driven Drug Discovery and Molecular Informatics

Publications

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  • Currently displaying 421 - 440 of 574 publications
Author(s)
Publication title
Journal Name
Publication year
Using machine learning techniques for rationalising phenotypic readouts from a rat sleeping model
G Drakakis, A Koutsoukas, SC Brewerton, DDE Evans, A Bender
Journal of cheminformatics
(2013)
5
(doi: 10.1186/1758-2946-5-s1-p34)
Experimental validation of in silico target predictions on synergistic protein targets
I Cortes-Ciriano, A Koutsoukas, O Abian, A Bender, A Velazquez-Campoy
Journal of cheminformatics
(2013)
5
(doi: 10.1186/1758-2946-5-s1-p31)
Relating GPCRs pharmacological space based on ligands chemical similarities
A Koutsoukas, R Torella, G Drakakis, A Bender, RC Glen
Journal of Cheminformatics
(2013)
5
(doi: 10.1186/1758-2946-5-s1-p26)
In silico target prediction: identification of on- and off-targets for crop protection agents
RK Chiddarwar, A Bender, S Rohrer
Journal of Cheminformatics
(2013)
5
(doi: 10.1186/1758-2946-5-s1-p18)
Annotating targets with pathways: extending approaches to mode of action analysis
S Liggi, A Koutsoukas, YK Motamedi, RC Glen, A Bender
Journal of cheminformatics
(2013)
5
(doi: 10.1186/1758-2946-5-s1-p15)
Chemogenomics approaches to rationalising compound action of traditional Chinese and Ayurvedic medicines
FM Fauzi, A Koutsoukas, R Lowe, K Joshi, T-P Fan, A Bender
Journal of Cheminformatics
(2013)
5
(doi: 10.1186/1758-2946-5-s1-p44)
Significantly Improved HIV Inhibitor Efficacy Prediction Employing Proteochemometric Models Generated From Antivirogram Data
GJP van Westen, A Hendriks, JK Wegner, AP Ijzerman, HWT van Vlijmen, A Bender
PLoS Comput Biol
(2013)
9
(doi: 10.1371/journal.pcbi.1002899)
Chemogenomics Approaches to Rationalizing the Mode-of-Action of Traditional Chinese and Ayurvedic Medicines
F Mohd Fauzi, A Koutsoukas, R Lowe, K Joshi, T-P Fan, RC Glen, A Bender
Journal of chemical information and modeling
(2013)
53
(doi: 10.1021/ci3005513)
SignaLink 2-a signaling pathway resource with multi-layered regulatory networks
D Fazekas, M Koltai, D Türei, D Módos, M Pálfy, Z Dúl, L Zsákai, M Szalay-Bekő, K Lenti, IJ Farkas, T Vellai, P Csermely, T Korcsmáros
BMC Systems Biology
(2013)
7
(doi: 10.1186/1752-0509-7-7)
Theoretical and Experimental Investigation of Palladium(II)-Catalyzed Decarboxylative Addition of Arenecarboxylic Acid to Nitrile
F Svensson, RS Mane, J Savmarker, M Larhed, C Skold
Organometallics
(2013)
32
(doi: 10.1021/om3009525)
Efficient calculation of compound similarity based on maximum common subgraphs and its application to prediction of gene transcript levels.
RJPV Berlo, W Winterbach, MJLD Groot, A Bender, PJT Verheijen, MJT Reinders, DD Ridder
International journal of bioinformatics research and applications
(2013)
9
(doi: 10.1504/ijbra.2013.054688)
Linking Ayurveda and Western medicine by integrative analysis.
FM Fauzi, A Koutsoukas, R Lowe, K Joshi, T-P Fan, RC Glen, A Bender
Journal of Ayurveda and Integrative Medicine
(2013)
4
(doi: 10.4103/0975-9476.113882)
Experimental validation of in silico target predictions on synergistic protein targets
I Cortes-Ciriano, A Koutsoukas, O Abian, RC Glen, A Velazquez-Campoy, A Bender
RSC Medicinal Chemistry
(2013)
4
(doi: 10.1039/c2md20286g)
Using Multiobjective Optimization and Energy Minimization to Design an Isoform-Selective Ligand of the 14-3-3 Protein
H Sanchez-Faddeev, MTM Emmerich, FJ Verbeek, AH Henry, S Grimshaw, HP Spaink, HW Van Vlijmen, A Bender
Lecture Notes in Computer Science
(2012)
7610 LNCS
(doi: 10.1007/978-3-642-34032-1_3)
PaDEL‐DDPredictor: Open‐source software for PD‐PK‐T prediction
Y He, CY Liew, N Sharma, SK Woo, YT Chau, CW Yap
Journal of computational chemistry
(2012)
34
(doi: 10.1002/jcc.23173)
Cheminformatics
JK Wegner, A Sterling, R Guha, A Bender, JL Faulon, J Hastings, N O'Boyle, J Overington, H Van Vlijmen, E Willighagen
Communications of the ACM
(2012)
55
(doi: 10.1145/2366316.2366334)
Utilizing traditional Chinese for the discovery of efficacious new drugs
A Bender
Journal of Translational Medicine
(2012)
10
(doi: 10.1186/1479-5876-10-s2-a34)
A two-directional strategy for the diversity-oriented synthesis of macrocyclic scaffolds.
KMG O'Connell, HSG Beckmann, L Laraia, HT Horsley, A Bender, AR Venkitaraman, DR Spring
Organic & biomolecular chemistry
(2012)
10
(doi: 10.1039/c2ob26272j)
Predicting genes involved in human cancer using network contextual information.
H Rahmani, H Blockeel, A Bender
Journal of integrative bioinformatics
(2012)
9
(doi: 10.1515/jib-2012-210)
Identifying novel adenosine receptor ligands by simultaneous proteochemometric modeling of rat and human bioactivity data
GJP van Westen, OO van den Hoven, R van der Pijl, T Mulder-Krieger, H de Vries, JK Wegner, AP Ijzerman, HWT van Vlijmen, A Bender
J Med Chem
(2012)
55
(doi: 10.1021/jm3003069)
Yusuf Hamied Department of Chemistry
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