skip to content

Data-Driven Drug Discovery and Molecular Informatics

Current Position:

Working as research associate under Andreas Bender from Jan 2015 in an academia-industry collaborative project between Aboca, Italy and Department of Chemistry, University of Cambridge. I am involved in investigating the mode of biological action of various phytocomplexes by computational integrating of biological and chemical data. I specialise in Systems Chemical Biology, Chemoinformatics, Bioinformatics and Drug Discovery.


Computational Chemistry: Molecular Dynamics, QM/MM, QSAR and Docking

Structural Bioinformatics:  Protein Structure Prediction, Multiple Sequence-Alignment, Homology Modeling

Systems Polypharmacology: Analysis of Mechanism of action by Integrating Differentially Expressed genes (RNA-Seq) and chemical structures

Scientific Programming: PERL, R, Python

Software and Packages: Ingenuity Pathway Analysis (IPA), Cytoscape, KNIME, Pipeline Pilot, SYBYL, MOE, Discovery Studio, AMBER12, Schrodinger Canvas




Developments in toxicogenomics: understanding and predicting compound-induced toxicity from gene expression data.
B Alexander-Dann, LL Pruteanu, E Oerton, N Sharma, I Berindan-Neagoe, D Módos, A Bender
– Molecular omics
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
Consensus QSAR model for identifying novel H5N1 inhibitors.
N Sharma, CW Yap
– Mol Divers

Telephone number

01223 336432

Email address