New toolkit makes molecular dynamics simulations more accessible
Molecular dynamics (MD) simulations have become a powerful tool in the ever-growing fields of molecular biology and drug development. While many MD simulation techniques exist, parallel cascade selection MD (PaCS-MD) is a particularly useful one when.....»»
A multi-stream network for retrosynthesis prediction
Retrosynthesis aims to predict a set of reactants for producing given molecules, which plays a significant part in the biochemistry field, such as molecular pathway design and drug discovery. Most existing methods only benefit from one kind of inform.....»»
New study delves into ozone"s influence on exoplanetary climate
In the quest for life beyond our solar system, a new study delves into the atmospheric dynamics of planet Proxima Centauri b, illuminating ozone's pivotal role in shaping planetary climates. This research signifies a significant leap forward in our u.....»»
Strictly no dancing: Researchers discover "new molecular design rules"
Since the discovery of quantum mechanics more than a hundred years ago, it has been known that electrons in molecules can be coupled to the motion of the atoms that make up the molecules. Often referred to as molecular vibrations, the motion of atoms.....»»
Researchers discover new function of oncoproteins
Researchers at the University of Würzburg have discovered a new function of the oncoprotein MYCN: It not only helps cancer cells to grow stronger, but also makes them more resistant to drugs. The study is published in Molecular Cell......»»
Researchers develop nanotechnology for creating wafer-scale nanoparticle monolayers in seconds
Nanoscale materials present us with astonishing chemical and physical properties that help materialize applications such as single molecular sensing and minimally invasive photothermal therapy—which were once just theories—into reality......»»
Study reveals flaw in long-accepted approximation used in water simulations
Computational scientists at the Department of Energy's Oak Ridge National Laboratory have published a study in the Journal of Chemical Theory and Computation that questions a long-accepted factor in simulating the molecular dynamics of water: the 2-f.....»»
Researchers reveal how molecular roadblocks slow the breakdown of cellulose for biofuels
Cellulose, which helps give plant cell walls their rigid structure, holds promise as a renewable raw material for biofuels—if researchers can accelerate the production process. Compared to the breakdown of other biofuel materials like corn, breakin.....»»
Rich molecular language guides tiny liquid droplet formation in cells
Peering into a biological cell reveals a bustling microscopic world. The workhorses within this realm are specialized structures called organelles that perform vital cellular functions. Curiously, some organelles defy accepted convention: Instead of.....»»
Attosecond core-level spectroscopy reveals real-time molecular dynamics
Chemical reactions are complex mechanisms. Many different dynamic processes are involved, affecting both the electrons and the nucleus of the present atoms. Very often, the strongly coupled electron and nuclear dynamics induce radiation-less relaxati.....»»
How to install Steam using Whisky on Apple Silicon Macs
Whisky allows you to install Apple's Game Porting Toolkit on your Mac. Here's how to use it to run Steam games.The Whisky appWe previously covered how to use the Whisky app to install the Game Porting Toolkit (GPTK) and WINE to run older Microsoft Wi.....»»
Math degrees are becoming less accessible—and this is a problem for business, government and innovation
There's a strange trend in mathematics education in England. Math is the most popular subject at A-level since overtaking English in 2014. It's taken by around 85,000 and 90,000 students a year......»»
First steps toward a whole-body map of molecular responses to exercise
Research definitively confirms that muscle-moving, calorie-burning activity slows the advance of disease, improves cognitive function, boosts the immune system, and reduces rates of mortality from all causes......»»
Lego-pushing bumblebees reveal insect collaboration dynamics
A new study reveals that cooperation by bumblebees isn't simply a result of accumulated individual efforts. Rather, these miniature-brained creatures are not just hard-working pollinators, but also show signs of being master collaborators......»»
Targeting friends to induce social contagion can benefit the world, says new research
A new study co-authored by Yale sociologist Nicholas A. Christakis demonstrates that tapping into the dynamics of friendship significantly improves the possibility that a community will adopt public health and other interventions aimed at improved hu.....»»
Researchers detect toxic chemicals in aquatic organisms with new AI method
Swedish researchers at Chalmers University of Technology and the University of Gothenburg have developed an AI method that improves the identification of toxic chemicals—based solely on knowledge of the molecular structure......»»
Behind the wheel of CXC’s $600,000 off-road racing simulator
CXC Simulations wanted to build something special for a cruise liner. Enlarge / CXC Simulations needed to come up with something special for Norwegian Cruise Lines, so it built an off-road racing simulator. (credit: CXC Simulatio.....»»
New research reveals terahertz waves" impact on dynamics of nanoconfined water molecules
In a new discovery, researchers have revealed novel insights into the behavior of water molecules confined within nanostructures. Their study, published in Science Advances on April 24, delves into how terahertz (THz) waves influence the dynamics of.....»»
Astronomers" simulations support dark matter theory
Computer simulations by astronomers support the idea that dark matter—matter that no one has yet directly detected but which many physicists think must be there to explain several aspects of the observable universe—exists, according to the resear.....»»
Tracking the dynamics of biomolecules with optofluidic antennas
In order to better understand fundamental processes in life science at the molecular level, the precise observation of single molecule dynamics is of utmost interest. However, current techniques based on fluorescence measurements in aqueous solutions.....»»
Tracecat: Open-source SOAR
Tracecat is an open-source automation platform for security teams. The developers believe security automation should be accessible to everyone, especially understaffed small- to mid-sized teams. Core features, user interfaces, and day-to-day workflow.....»»