Lifeboat Foundation: Safeguarding Humanity
Toggle light / dark theme

Blog – Page 3784

A new program can streamline the process of creating, launching and analysing computational chemistry experiments. This piece of software, called AQME, is distributed for free under an open source licence, and could contribute to making calculations more efficient, as well as accelerating automated analyses.

‘We estimate time savings of around 70% in routine computational chemistry protocols,’ explains lead author Juan Vicente Alegre Requena, at the Institute of Chemical Synthesis and Homogeneous Catalysis (ISQCH) in Zaragoza, Spain. ‘In modern molecular simulations, studying a single reaction usually involves more than 500 calculations,’ he explains. ‘Generating all the input files, launching the calculations and analysing the results requires an extraordinary amount of time, especially when unexpected errors appear.’

Therefore, Alegre and his colleagues decided to code a piece of software to skip several steps and streamline calculations. Among other advantages, AQME works with simple inputs, instead of the optimised 3D chemical structures usually required by other solutions. ‘It’s exceptionally easy,’ says Alegre. ‘AQME is installed in a couple of minutes, then the only indispensable input is as a simple Smiles string.’ Smiles is a system developed by chemist and coder Dave Weininger in the late 1980s, which converts complex chemical structures into a succession of letters and numbers that is machine readable. This cross-compatibility could allow integration with chemical databases and machine-learning solutions, most of which include datasets in Smiles format, explains Alegre.

Read more | >

Dedicated to ending the HIV epidemic — dr. moupali das, MD, MPH, executive director, HIV clinical research, gilead sciences.

Dr. Moupali Das, MD, MPH, is Executive Director, HIV Clinical Research, in the Virology Therapeutic Area, at Gilead Sciences (https://www.gilead.com/), where she leads the pre-exposure prophylaxis (PrEP) clinical drug development program, including evaluating the safety and efficacy of a long-acting, twice yearly, subcutaneous injection being studied for HIV prevention. Her responsibilities also include expanding the populations who may benefit from PrEP.

Dr. Das has led high-performing teams in academic medicine, public health, implementation science, and cross-functionally in drug development. She has successfully helped develop, implement, and evaluate how to better test, link to care, increase virologic suppression, and improve quality of life for people with HIV, and to prevent HIV in those who may benefit from PrEP.

Continue reading “Dr. Moupali Das, MD, MPH — Gilead Sciences — Dedicated To Ending The HIV Epidemic” | >

Scientists have made a freak discovery that’s potentially brought us closer to dinosaurs than we’ve ever been before.

Archaeologists uncovered one of the most well-preserved dinosaur fossils — so preserved that its very skin was still intact after all these years.

Talk about a good skincare routine, the discovery is now being hailed as a ‘one-in-a-billion’ find.

Read more | >

Sir Fred Hoyle was an English astronomer who formulated the theory of stellar nucleosynthesis. He also held controversial stances on other scientific matters — in particular his rejection of the “Big Bang” theory, a term coined by him on BBC radio, and his promotion of panspermia and the Steady-state theory of the universe.

Read more | >

Experts consider glass nanoparticles kept inside extreme vacuum layers as potential platforms for examining the quantum world’s limits. However, a question in the field of quantum theory remains unanswered: at which size does an object start being described by quantum physics laws rather than classical physics laws?

Achieving Quantum-State Cooling in More Than One Direction Is Challenging

SciTechDaily reports that a research team attempted to precisely answer the question through the ERC-Synergy project Q-Xtreme. The team comprised Lukas Novotny from ETH Zurich, Markus Aspelmeyer from the University of Vienna, Oriol Romero-Isart from the University of Innsbruck, and Romain Quidant from Zurich.

Read more | >

Computer models are an important tool for studying how the brain makes and stores memories and other types of complex information. But creating such models is a tricky business. Somehow, a symphony of signals—both biochemical and electrical—and a tangle of connections between neurons and other cell types creates the hardware for memories to take hold. Yet because neuroscientists don’t fully understand the underlying biology of the brain, encoding the process into a computer model in order to study it further has been a challenge.

Now, researchers at the Okinawa Institute of Science and Technology (OIST) have altered a commonly used computer model of called a Hopfield network in a way that improves performance by taking inspiration from biology. They found that not only does the new network better reflect how neurons and other cells wire up in the , it can also hold dramatically more memories.

The complexity added to the network is what makes it more realistic, says Thomas Burns, a Ph.D. student in the group of Professor Tomoki Fukai, who heads OIST’s Neural Coding and Brain Computing Unit. “Why would biology have all this complexity? Memory capacity might be a reason,” Mr. Burns says.

Read more | >