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Analytical and Chemical Knowledge Management Software for Drug Metabolism Science
Graham A. McGibbon, Karim Kassam, and Susan Ling

Characterizing metabolite structures and metabolic pathways is essential to understanding the potential biological implications of compounds in drug discovery.

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Understanding the Role of Quality by Design in Chromatographic Method Development
Michael McBrien, Juan Wang, Teresa Ponzio and Tara Sinclair

Quality by Design (QbD) has become popular within the pharmaceutical industry and the FDA has cited a risk-based approach to drug development as a desirable state for the near future.1 In this state, more complete information and transparency relating to risk assessment will be made available for new drug aplications speeding the approval process, and preventing late-stage failures.

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Ensuring the Quality of Registered Compounds in a Drug Discovery Environment – A Multidisciplinary Approach
Ryan Sasaki and Tara Sinclair

Lexicon Pharmaceuticals have demonstrated that a practical automated verification system using HPLC, LC/MS, and 1D and 2D NMR can be implemented in an industrial/pharmaceutical environment. This system has proven to be robust, and provides added value to compound collection integrity and quality.

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A Self-Monitoring Quality Management System Incorporating Spectral and Chromatographic Data
David Snyderman, Colin Read and Tara Sinclair

LIMS are useful in managing certain types of data for quality management and sample tracking. However, these systems are generally limited in the types of information they can process and store. A unique automated quality management system has been developed and implemented at a fragrance manufacturer to evaluate chromatographic and spectral data of samples during quality testing.

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Using SNA for Mining Collaboration Data in a Bug Tracking System for Risk and Vulnerability Analysis
Ashish Sureka, Atul Goyal, Ayushi Rastogi

We derive a collaboration network from a defect tracking system and apply SNA techniques to investigate the derived network for the purpose of risk and vulnerability analysis. We demonstrate how important information pertaining to risk and vulnerability can be uncovered using network analysis techniques from static record keeping software archive such as the bug tracking system.

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Molecular Dynamics Study of Binary Mixture Lubricating Film in Hard Disk Interface
Purushothaman,K.,Anandan,N.

As distance between the HMS in HDD shrink,there is a need for usage of binary mixture lubricants to overcome the problem of retention and replenishment of lubricants on HDD surface. In this work, lubrication performance of binary mixture will be modelled using MD simulation based on a coarse-grain spring model using Euler Algorithm.

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Nucleic Acid Reagents and Experimental Results in the NCBI Probe Database
Svetlana Iazvovskaia, Ilene Karsch Mizrachi, Kirill Rotmistrovsky, and Savani Tatake

Five years ago, the NCBI Probe database (ProbeDB) was established to provide a centralized archive of molecular probes used in biomedical applications. Currently ProbeDB contains around 10 million probes of 65 types including gene silencing agents, in situ hybridization probes, and probes for variation analysis and genome mapping. Presently, ProbeDB is the largest and most extensive database of this type available in public domain.

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Enzyme kinetic measurements performed on BMG LABTECH´s FLUOstar OPTIMA

BMG LABTECH has developed a new evaluation software feature able to calculate the Km value as well as the maximal velocity (Vmax) from an enzymatic kinetic measurement. Enzymes differ in their affinity to specific substrates and this affinity is represented by the Michaelis-Menten constant Km. The new software feature for enzyme kinetic offers fast and easy calculation of Km and Vmax. Available plots are the common Michaelis-Menten, Lineweaver-Burk, Eadie-Hofstee, Scatchard and Hanes kinetic f

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Feasibility study through design and implementation of a web services based RFID solution
Arunabh Chattopadhyay

The implementation of an RFID solution based on web services is demonstrated. The solution has three components.

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Showing Results 31 - 40 of 71
Scientific News
Sorting Through Cellular Statistics
Aaron Dinner, professor in chemistry, and his graduate student Herman Gudjonson are trying to read the manual of life, DNA, as part of the Dinner group’s research into bioinformatics—the application of statistics to biological research.
Paving the way to Better Ovarian Cancer Diagnosis
Aïcha BenTaieb will present her invention for automated identification of ovarian cancer’s many subtypes at an international conference this fall.
New Tool Uses 'Drug Spillover' to Match Cancer Patients with Treatments
Researchers have developed a new tool that improves the ability to match drugs to disease: the Kinase Addiction Ranker (KAR) predicts what genetics are truly driving the cancer in any population of cells and chooses the best "kinase inhibitor" to silence these dangerous genetic causes of disease.
Computer Model Could Explain how Simple Molecules Took First Step Toward Life
Two Brookhaven researchers developed theoretical model to explain the origins of self-replicating molecules.
The Mystery of the Instant Noodle Chromosomes
Researchers from the Lomonosov Moscow State University evaluated the benefits of placing the DNA on the principle of spaghetti.
Web App Helps Researchers Explore Cancer Genetics
Brown University computer scientists have developed a new interactive tool to help researchers and clinicians explore the genetic underpinnings of cancer.
An Innovative Algorithm to Decipher How Drugs Work Inside the Body
Researchers at Columbia University Medical Center (CUMC) have developed a computer algorithm that is helping scientists see how drugs produce pharmacological effects inside the body.
How do Networks Shape the Spread of Disease and Gossip?
A team of mathematicians from Oxford University, University of North Carolina at Chapel Hill, and Rutgers University used a set of mathematical rules to encode how a contagion spreads, and then studied the outcomes of these rules.
AncestryDNA and Calico to Research the Genetics of Human Lifespan
Collaboration will analyze family history and genetics to facilitate development of cutting-edge therapeutics.
Informatics Tool Helps Scientists Prioritize Protein Modification Research
Researchers have developed a new informatics technology that analyzes existing data repositories of protein modifications and 3D protein structures to help scientists identify and target research on "hotspots" most likely to be important for biological function.
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