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Currently displaying 441 - 460 of 584 publications

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

Medchemcomm

(2013)

278

(doi: 10.1039/c2md20286g)

Linking Ayurveda and Western medicine by integrative analysis.

FM Fauzi, A Koutsoukas, R Lowe, K Joshi, T-P Fan, RC Glen, A Bender

J Ayurveda Integr Med

(2013)

117

(doi: 10.4103/0975-9476.113882)

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 Including Subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics

(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)

604

(doi: 10.1002/jcc.23173)

Cheminformatics

JK Wegner, A Sterling, R Guha, A Bender, J-L Faulon, J Hastings, N O'Boyle, J Overington, H Van Vlijmen, E Willighagen

Communications of the ACM

(2012)

(doi: 10.1145/2366316.2366334)

Utilizing traditional Chinese for the discovery of efficacious new drugs

A Bender

Journal of Translational Medicine

(2012)

a34

(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)

7545

(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)

210

(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

Journal of Medicinal Chemistry

(2012)

7010

(doi: 10.1021/jm3003069)

Consensus QSAR model for identifying novel H5N1 inhibitors.

N Sharma, CW Yap

Mol Divers

(2012)

513

(doi: 10.1007/s11030-012-9384-z)

Multi-objective evolutionary design of adenosine receptor ligands.

E van der Horst, P Marqués-Gallego, T Mulder-Krieger, J van Veldhoven, J Kruisselbrink, A Aleman, MTM Emmerich, J Brussee, A Bender, AP Ijzerman

Journal of chemical information and modeling

(2012)

1713

(doi: 10.1021/ci2005115)

The NRF2-related interactome and regulome contain multifunctional proteins and fine-tuned autoregulatory loops

D Papp, K Lenti, D Módos, D Fazekas, Z Dúl, D Türei, L Földvári-Nagy, R Nussinov, P Csermely, T Korcsmáros

FEBS letters

(2012)

586

1795

(doi: 10.1016/j.febslet.2012.05.016)

A prospective cross-screening study on G-protein-coupled receptors: Lessons learned in virtual compound library design

MPA Sanders, L Roumen, E van der Horst, JR Lane, HF Vischer, J van Offenbeek, H de Vries, S Verhoeven, KY Chow, F Verkaar, MW Beukers, R McGuire, R Leurs, AP Ijzerman, J de Vlieg, IJP de Esch, GJR Zaman, JPG Klomp, A Bender, C de Graaf

J Med Chem

(2012)

5311

(doi: 10.1021/jm300280e)