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Ebola candidate vaccine is readied for frontline worker study in Sierra Leone. After using the Lonestar4 supercomputer at the Texas Advanced Computing Center to fit 500 million models, researchers found that changing the vaccine study design from the appr

Lonestar4 aids Ebola Vaccine Trial Simulation and Analysis

June 3, 2015 12:50 pm | by Faith Singer-Villalobos, Texas Advanced Computing Center | News | Comments

As the current Ebola outbreak wanes, scientists have to make the most of every opportunity to prepare for future outbreaks. One such opportunity involves the identification of a safe and effective Ebola vaccine. Supercomputers have aided researchers in modeling which types of clinical trials will provide the best information. They found that changing the study design would lead to better information about the effectiveness of the vaccine.

SLIM: Stability Lab Information Manager

March 26, 2015 11:36 am | Product Releases | Comments

SLIM (Stability Lab Information Manager) is a fully validated LIMS designed for complete...

AI and Robot Scientists: The Lab of the Future?

March 10, 2015 8:44 am | by Paul Denny-Gouldson, IDBS | Blogs | Comments

Pharmaceutical companies are under intense pressure. With patents expiring and cost pressures...

Reversing the Global Diabesity Epidemic

February 5, 2015 2:38 pm | by Suzanne Tracy, Editor-in-Chief, Scientific Computing and HPC Source | Blogs | Comments

Diabesity has been identified as a major global health problem by researchers and healthcare...

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Eve, the Robot Scientist Courtesy of University of Manchester

AI Robot Scientist ‘Eve’ could Boost Search for New Drugs

February 4, 2015 2:46 pm | by University of Cambridge | News | Comments

Eve, an artificially-intelligent ‘robot scientist’ could make drug discovery faster and much cheaper, say researchers. The team has demonstrated the success of the approach, as Eve discovered that a compound shown to have anti-cancer properties might also be used in the fight against malaria.

StarDrop Card View Drug Discovery Software

StarDrop Card View Drug Discovery Software

November 7, 2014 2:15 pm | Optibrium Ltd. | Product Releases | Comments

Card View is designed to provide a unique way to look at compound data, clearly representing the relationships between compounds to highlight the best chemistries and optimization strategies. It presents compound structures and associated data on cards that can be moved, stacked and linked in a unique, flexible environment.

A carbapenem molecule, a last resort antibiotic, enters the carbapenemase enzyme (blue arrow), where the crucial beta-lactam structure gets broken down. The ineffective molecule then leaves (orange arrow)

Nobel Prize-winning Technique Helps Design Antibiotics of Future

October 17, 2014 11:52 am | by Bristol University | News | Comments

Scientists have used computer simulations to show how bacteria are able to destroy antibiotics — a breakthrough that will help develop drugs which can effectively tackle infections in the future. Researchers at the University of Bristol focused on the role of enzymes in the bacteria, which split the structure of the antibiotic and stop it from working, making the bacteria resistant.

“The collective expertise of NeuroLINCS investigators provides a unique opportunity to increase our knowledge of what makes brain cells unique and what happens during neurodegenerative diseases," said UC Irvine's Leslie M. Thompson.

Novel NIH Program will Create Database of Human Brain Cell Activity

October 10, 2014 12:08 pm | by UC Irvine | News | Comments

UC Irvine will receive $8 million from the NIH to establish one of six national centers dedicated to creating a database of human cellular responses that will accelerate efforts to develop new therapies for many diseases. The center will partner with researchers from Cedars-Sinai Medical Center’s Regenerative Medicine Institute, the Gladstone Institute of Neurological Disease, UC San Francisco, Johns Hopkins University and MIT.

Researchers have developed a math model that can predict the progression from nephritis — kidney inflammation — to interstitial fibrosis, scarring in the kidney that current treatments cannot reverse. Courtesy of Piotr Michał Jaworski

Math Model Replaces Invasive Kidney Biopsy for Lupus Patients

September 18, 2014 2:11 pm | by Emily Caldwell, Ohio State University | News | Comments

Mathematics might be able to reduce the need for invasive biopsies in patients suffering kidney damage related to the autoimmune disease lupus. Researchers have developed a math model that can predict the progression from kidney inflammation to scarring in the kidney that current treatments cannot reverse.

StarDrop 5.5 Software Suite

StarDrop 5.5 Software Suite

September 16, 2014 3:15 pm | Optibrium Ltd. | Product Releases | Comments

StarDrop 5.5 is a suite of software for guiding decisions in drug discovery, helping project teams quickly identify high-quality compounds. It works by evaluating complex data, which is often uncertain because of experimental variability or predictive error.

Sentira Data Visualization Software

Sentira Data Visualization Software

September 12, 2014 2:36 pm | Optibrium Ltd. | Product Releases | Comments

Sentira is a desktop application designed to provide elegant and dynamic visualization for compound data. The software is applicable across many fields of chemistry, enabling users to quickly find patterns in compound data, visualize structure-activity relationships and present and report results.

The industry's preeminent event on Molecular Medicine, focusing on Drug Discovery, Genomics, Diagnostics and Information Technology.

22nd International Molecular Medicine Tri-Conference

August 28, 2014 3:17 pm | Events

The 22nd International Molecular Medicine Tri-Conference is the industry's Preeminent Event on Molecular Medicine, focusing on Drug Discovery, Genomics, Diagnostics and Information Technology. Spanning six days this year, the Tri-Conference includes an expanded program that includes 6 symposia, over 20 short courses, and 17 conference programs.



July 11, 2014 10:24 am | by SLAS | Events

SLAS is a global organization that provides forums for education and information exchange to encourage study and professional collaboration aimed at advancing laboratory science and technology for the drug discovery, biotechnology, chemical, data informatics, clinical diagnostic, consumer product, pharmaceutical, and other industries.

Pittcon 2015 Technical Program Places Emphasis on Energy and Fuels

July 8, 2014 4:05 pm | by Pittcon | News | Comments

The Program Committee has announced a call for papers for the Pittcon 2015 Technical Program.  Abstracts are currently being accepted for contributed oral and poster presentations in areas such as, but not limited to, analytical chemistry, applied spectroscopy, life science, bioanalysis, food science, nanotechnology, environmental science and pharmaceutical. The 2015 committee is especially interested in topics relevant to energy and fuels.

Bigger than Big Data: The Key to Successful Translational Science

April 4, 2014 9:13 am | by Robin Munro, IDBS | Blogs | Comments

Is Big Data really the biggest challenge at the moment for translational science? Certainly there are issues with the complexity and size of omics data, which Big Data techniques can help address, but there are two more pressing challenges: enabling collaboration whilst facilitating information sharing, and the ability to better interpret multiple different omics data (multi-omics).

Systems Docking Simulation Algorithms Help Speed Drug Discovery

February 20, 2014 6:50 am | by Okinawa Institute of Science and Technology - OIST | News | Comments

A large number of neglected diseases exist in which each disease has only a small number of patients in the world, yet the number is still significant. Kun-Yi Hsin  is working on precisely this problem. In a recent article, he describes his work identifying potential drugs and targets for those drugs using a computational approach that has the potential to bring the cost of drug development down while increasing the speed of drug discovery.

ScienceCloud by Accelrys

February 7, 2014 10:39 am | Accelrys | Product Releases | Comments

ScienceCloud is an SaaS-based information management and collaboration workspace for externalized life science research and development. It is designed to advance collaborative drug discovery with a new generation of integrated applications built on a scalable, cloud-based scientific platform.


Data Integrity in a Nutshell: Industry must take bold steps to assure the data used for drug quality decisions is trustworthy

January 7, 2014 12:31 pm | by Mark E. Newton | Articles | Comments

Regulatory inspectors have started digging much deeper into data, no longer accepting batch release data and supportive testing at face value. Even worse, this effort is justified: they have cited a number of firms for violations of data integrity, a most fundamental bond of trust between manufacturers and the regulators that inspect them. Industry must take bold steps to assure the data used for drug quality decisions is trustworthy...

Stanford, Google Team Up to Simulate Key Drug Receptor

December 20, 2013 4:04 pm | by Bjorn Carey, Stanford University | News | Comments

Researchers at Stanford and Google have conducted an unprecedented, atom-scale simulation of the receptor site's transformation, a feat that could have significant impact on drug design.                   

Computer Models Predict More Effective Therapies

June 27, 2013 8:14 am | by AlphaGalileo | News | Comments

Scientist at Charité – Universitätsmedizin Berlin have used a computer simulation for predicting the effectiveness of various combination therapies for colon tumors. In most tumors, the communication between the individual cells is disturbed and the cells permanently receive growth and survival signals. For this reason, drugs are increasingly used in modern tumor therapy that targets those molecules to shut down these faulty signals.

But What Does It Do?

May 14, 2013 10:55 am | by European Molecular Biology Laboratory | News | Comments

Although we know the tool's general purpose, it can sometimes be difficult to tell if a specific pair of precision tweezers belongs to a surgeon or a master jeweller. It is now easier to solve similar conundrums about a type of protein that allows cells to react to their environment, thanks to scientists at the European Molecular Biology Laboratory (EMBL). Published in Science Signaling,...

Certara Signs Partnership Agreement with ChemAxon

March 22, 2013 2:07 pm | News | Comments

Certara, a leading provider of software and scientific consulting services to improve productivity and decision-making from drug discovery through clinical development, announced that Certara and ChemAxon have signed a partnership agreement.  The partnership will focus on providing seamless access to ChemAxon’s MarvinSketch and JChem Cartridge for Oracle via Certara’s D360.

FieldStere V3.0

December 7, 2011 6:40 am | Cresset Group | Product Releases | Comments

The bioisostere replacement tool, FieldStere is a fast and powerful software tool that uses innovative field-point technology, together with a database of molecular fragments, to help guide drug discovery projects and generate new intellectual property.

Analysis Reveals Patterns of Bacteria-Virus Infection Networks

June 28, 2011 8:43 am | by Abby Robinson | News | Comments

Bacteria are common sources of infection, but these microorganisms can themselves be infected by even smaller agents: viruses. A new analysis of the interactions between bacteria and viruses has revealed patterns that could help scientists working to understand which viruses infect which bacteria in the microbial world

Coffee: wake up with an Alzheimer’s preventative

June 22, 2011 10:03 am | News | Comments

A yet unidentified component of coffee interacts with the beverage’s caffeine, which could be a surprising reason why daily coffee intake protects against Alzheimer’s disease. A new Alzheimer’s mouse study found that this interaction boosts blood levels of a critical growth factor that seems to fight off the Alzheimer’s disease process

Arctic Snow Harbors Deadly Assassin

June 22, 2011 6:56 am | Articles | Comments

A new international study confirms that whilst snow has an insulating effect which helps plants to grow bigger, heavy and prolonged snow can, in certain circumstances, also encourage the rapid and extensive growth of killer fungal strains. The snowfall can bring about unexpected conditions that encourage fungal growth, leading to the death of plants in the Arctic

Deadly Amphibian Disease in the Last Disease-free Region of Central America

June 14, 2011 6:49 am | News | Comments

Scientists have confirmed that chytridiomycosis, a rapidly spreading amphibian disease, has reached a site near Panama’s Darien region. This was the last area in the entire mountainous neotropics to be free of the disease

Deadly Bacteria may Mimic Human Proteins

June 8, 2011 4:58 am | News | Comments

Deadly bacteria may be evolving antibiotic resistance by mimicking human proteins, according to a new study. This process of “molecular mimicry” may help explain why bacterial human pathogens, many of which were at one time easily treatable with antibiotics, have re-emerged in recent years as highly infectious public health threats

Potential Treatment for Deadly E. coli Poisoning

June 7, 2011 7:52 am | News | Comments

A potential life-saving treatment for severe E. coli food poisoning outbreaks — developed more than a decade ago — hasn't gone forward into clinical trials because of lack of commercial interest. Researchers produced a "designer" probiotic bacterium which binds and neutralizes the toxin produced by E. coli

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