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Mon, 01 Dec 2014
Advanced 3D Chemical Feature-based Pharmacophores for Efficient Lead Structure Discovery and Optimization
Pharmacophore-based virtual screening and activity profiling has become one of the most popular in silico techniques for supporting medicinal chemists in their hit finding, hit expansion, hit to lead,... more

Tue, 25 Nov 2014
3-Dimensional Genome Organization and Transcriptional Control in Cancer
Cancer involves changes in gene expression through a variety of mechanisms, including translocations and epigenetic alterations. Recent genome-wide approaches have revealed a plethora of distal regula... more

Fri, 17 Oct 2014
Blockage of EGFR Activity: a Combined Simulation and Experimental Method
The cancer is one of serious diseases that people life was killed in many countries. Abnormal activation of the epidermal growth factor receptor tyrosine kinase (EGFR-TK) have been shown to be involve... more

Fri, 10 Oct 2014
Gut microbiome and human health : Insights from Metagenomics studies
Majority of microbes present in diverse natural ecosystems cannot be cultured and studied in the laboratory using traditional genomic approaches. The emerging field of metagenomics facilitates the dir... more

Fri, 12 Sep 2014
Peptides and Proteins in Action
Atomistic molecular dynamics simulations of pore formation by anti-microbial peptides and signal transduction by cytokine receptors are shedding new light on cooperative processes within membrane-prot... more

Thu, 04 Sep 2014
Structural changes of GPI anchor after its attachment to proteins: functional significance
A hundred and fifty or more of human proteins are post-translationally modified by a glycolipid, termed glycosylphosphatidylinositol (GPI) that anchors proteins to the outer leaflet of plasma membrane... more

Tue, 19 Aug 2014
The dummy guide to protein structure comparison
Comparison of protein structures can reveal distant evolutionary relationships that would not be detected by sequence information alone. This helps to infer functional properties. In recent years, man... more

Fri, 15 Aug 2014
Bioinspired Engineering
His talk will give an overview of the challenges of bio-inspired design and will present two case studies that he has personally pioneered. One case study involves a dragon-fly inspired micro-air vehi... more

Thu, 14 Aug 2014
Bioinformatics Meets Big Data
In this talk, I will survey some of my research into foundation of data science for functional genomics. Large heterogeneous data present a significant challenge in genome annotation, including data s... more

Tue, 12 Aug 2014
Seminar (2) - Using MD simulations to aid the development of next generation sequencing devices
Engineered protein nanopores, such as those based on alpha-hemolysin from Staphylococcus aureus have shown great promise as components of next-generation DNA sequencing devices. However, before such p... more

Mon, 11 Aug 2014
Seminar (1) - Multi-scale simulations of bacterial membranes: successes and outlook for the future
Gram-negative bacteria such as E. coli are typically regarded as "simple" model organisms, yet their cell envelopes are surprisingly complex. Recent experimental and theoretical studies have revealed ... more

Thu, 07 Aug 2014
Computational approaches for understanding the recognition mechanism of protein-DNA complexes
Protein-DNA interactions play vital roles in gene regulation, gene expression, transcription and control. Identifying the binding sites in protein-DNA complexes and understanding the recognition mecha... more

Tue, 29 Jul 2014
Seminar (2) - Challenges in bio-molecular simulation: On comparing simulated with experimental data
Computer simulation of the dynamics of bio-molecular systems by the molecular dynamics technique yields the possibility of describing structure-energy-function relationships of molecular processes in ... more

Fri, 04 Jul 2014
Novel and highly selective molecular tools to monitor and modulate activity of oncogenic beta-catenin in Wnt-associated cancers
The Wnt/wingless (wg) pathway is one of a core set of evolutionarily conserved signaling pathways that regulate many aspects of metazoan development. Inappropriate activation of the Wnt pathway has be... more

Thu, 03 Jul 2014
Spectroscopy Research & Development behind Scyllarus
At CeBIT 2014, NICTA launched Scyllarus ( This is a hyperspectral visualisation and analysis software suite based on several years of research. In this talk, I will depart from the ... more

Tue, 01 Jul 2014
Enriching Chemical Space to Drug Undruggable Targets
The pharmaceutical industry is an enormously successful business sector. However, the current challenges facing the industry are unprecedented. Foremost among these challenges are the industry’s dim... more

Mon, 02 Jun 2014
Joint BII/p53Lab Seminar: To Be Soluble, or Not to Be, That is a Question
A number of human diseases such as Alzheimer's, Parkinson's, and type II diabetes are associated with the formation of toxic protein aggregates. Protein aggregation also represents a major bottleneck ... more

Mon, 28 Apr 2014
Quantitative mass spectrometry for drug discovery and signal transduction research
This talk will give an introduction to the Mass spectrometry (MS)-based quantitative proteomics that allows global measurement of proteins providing a systems biology view of cellular processes. In a ... more

Tue, 08 Apr 2014
Functional and Modelling Studies of the Transmembrane region of the TRPM8 Channel
The Transient Receptor Potential (TRP) ion channel family act as polymodal cellular sensors that aid in regulating Ca2+ homeostasis. Within the TRP family, TRPM8 is the cold receptor that forms a non-... more

Thu, 13 Mar 2014
Probing budding yeast meiosis: monopolins, endosulfines and beyond
All sexually reproducing organisms produce haploid gametes from diploid parental cells by undergoing a specialized form of cell division known as meiosis. During meiosis, one round of DNA replication ... more

Mon, 03 Mar 2014
Influenza virus: life cycle, host factors and miRNA-regulatory network
Translating clinically collected data from patients or vaccination subjects into diagnostic biomarker discovery requires a systems level understanding of regulatory events. With a growing number of re... more

Fri, 21 Feb 2014
Stress test for de novo assemblers
An increasing number of DNA de novo assembly tools are being developed, each claiming to produce better results in some aspect than their competition. The majority of them have been tested only to cur... more

Fri, 21 Feb 2014
Entropy and Hydration in Biomolecular Recognition
Recognition of small molecule or peptide and protein ligands are key to understand the biomolecular basis for many life-sustaining processes. These processes take place almost exclusively in aqueous s... more

Thu, 06 Feb 2014
On the ATP and Mg2+ binding site of the epsilon subunit from F-type ATP synthases
ATP synthases are the main producer of ATP, the universal energy source in all living cells, from mammals to microbes. The rotation of the membrane embedded c-ring is driven by an electrochemical ion-... more

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