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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
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.
Software Differences can Skew Medical Scan Results
Differences in software can significantly skew results of medical scans commonly used in clinical care and research.
AMRI, PerkinElmer to Collaborate on Drug Discovery
Albany Molecular Research (AMRI) and PerkinElmer are collaborating to provide drug discovery infrastructure and services in AMRI's newly launched drug discovery center.
Exploring Living cells
JPK reports the exploration of living cells using nanoscale and single molecule techniques through the application of scanning probe microscopy.
Vulnerabilities in Genome's 'Dimmer Switches' Should Shed Light on Hundreds of Complex Diseases
Up to one-fifth of human DNA act as dimmer switches for nearby genes, but scientists have long been unable to identify precisely which mutations in these genetic control regions really matter in causing common diseases.
The Perfect Partnership: Research & Industry; Software & Instrumentation. It really starts to come together at ASMS 2015
Collaboration and knowledge-sharing were evident everywhere: on the bus, in the hallways and in the bars. This article aims to capture this theme and share with you some of the fruits of this coming together of science and industry.
Designing New Pain Relief Drugs
Researchers have identified the molecular interactions that allow capsaicin to activate the body’s primary receptor for sensing heat and pain, paving the way for the design of more selective and effective drugs to relieve pain.
Longstanding Problem Put to Rest
Proof that a 40-year-old algorithm for comparing genomes is the best possible will come as a relief to computer scientists.
Connections Between Birth Month and Health
Columbia University scientists have developed a computational method to investigate the relationship between birth month and disease risk.
Building a Better Microscope
Technological refinements have allowed cryo-EM to become a key tool in structural biology.
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