#molecularmodeling

[clinicalherbalist]

I made paper doll molecular models of stimulant substances from popular hot drinks. The only differences between them are the number and location of the methyl groups, which are a carbon atom and 3 hydrogen atoms; normally it’s written CH3, and i made the C into a mug handle, the H into the cup, and the 3 into a bit of steam. . . Theobromine is holding a cup of hot chocolate in its hand and also talking about it in a speeach balloon. . . Theophylline has a cup of tea in one hand and another cup on one foot. Coffee is talking about coffee, carrying coffee, and also stepping in a cup of coffee. . . . I thought it was a cute, quirky idea. Paper dollecules. I made them for episode 2 of the medicine show, my new IGTV/youtube project, which you should definitely check out. . . . #science #molecularmodeling #paperdolls #phytochemistry #caffeine #chocolate #hotdrink https://www.instagram.com/p/BvmR7MpBnLy/?utm_source=ig_tumblr_share&igshid=8c1hk9lgo69i

[savingsuk]

Quantum Algorithms for Battery Material Discovery

In the pursuit of cleaner and more efficient energy storage systems, scientists and engineers face an ongoing challenge — how to design batteries that are safer, longer-lasting, and more sustainable. With the growing global demand for renewable energy and electric vehicles, advancements in materials science have become essential. Enter quantum algorithms — powerful computational methods based on the principles of quantum mechanics. By harnessing the power of quantum computing and quantum chemistry, researchers can simulate and analyze materials at the atomic and subatomic levels, revealing insights that were once out of reach. For companies like Savings UK Ltd, this breakthrough represents an exciting opportunity to accelerate battery material discovery and reshape the future of energy storage technologies. #energystorage #lithiumion #materialsscience #molecularmodeling #quantumchemistry #SAVINGSUKLtd

[historyatnih]

Richard Feldmann was a man ahead of the technology.  An early user of computers to study protein folding, he found it difficult to share their 3D molecular structures with others – computers just didn’t have enough power in the late 1970s.  So Feldmann and David Bing of NIH’s Division of Computer Research and Technology (DCRT, now the Center for Information Technology) used old technology: a stereoscope. They packaged a folding cardboard Taylor Merchant's Stereo 7 viewer with 116 slides of different molecules.  “As you look at the stereoscopic views you will see beauty beyond any previous experience,” they promised.  In 1980, it was better than a computer.  https://bit.ly/2RnFU1l

[cresset-group]

March 2014 Newsletter

http://www.cresset-group.com/2014/03/march-2014-newsletter/

[cresset-group]

Webinar recording: Deciphering SAR around aromatics

Showcase of Activity Miner to explore the SAR landscape of a series of compounds involving substituted aromatic moieties, with focus on rapid identification of activity cliffs and how they can be used to better understand the relationship between structure and activity.

http://www.cresset-group.com/2014/03/webinar-recording-deciphering-sar-around-aromatics/