Beyond Alchemy: A Faster Route to Binding Affinity
![The study evaluated multiple methods for predicting host-guest binding free energies on a benchmark dataset, quantifying performance through metrics like root mean squared error [latex]RMSE[/latex], Pearson correlation coefficient [latex]rr[/latex], and Spearman rank correlation ρ, all with 95% confidence intervals to assess prediction reliability.](https://arxiv.org/html/2603.12253v1/x2.png)
A new computational method promises to accelerate virtual screening by directly calculating binding free energies from molecular dynamics simulations.
The AI Conductor: Smarter Tool Selection for Complex Queries
A new framework intelligently coordinates specialized AI tools to process diverse requests, offering a faster, more cost-effective alternative to traditional approaches.
Happy Death Day 3 Update Revealed by Jessica Rothe
During an interview at South by Southwest (SXSW), Jessica Rothe discussed the future of the Happy Death Day films. She confirmed that director Chris Landon has a wild idea for Happy Death Day 3 and is interested in combining it with his other successful horror movie, Freaky. The main challenge right now is simply getting the movie greenlit and made, but Rothe is eager to reprise her role as Tree whenever the time comes, even if it’s years down the line.
10 Most Rereadable Moments from Marvel’s Ultimate Wolverine, Ranked
The comic series Ultimate Wolverine will conclude with its 16th issue, coinciding with the Ultimate Endgame event. As the series nears its end, it’s a good time for fans to revisit older issues and remember what made it so enjoyable. Ultimate Wolverine is full of memorable moments, from exciting battles and heartfelt speeches to surprising twists and revelations.
Greg James breaks down in tears at his mum’s Mother’s Day message during gruelling Red Nose Day challenge as his dad recovers from a stroke
The Radio 1 Breakfast Show host, age 40, is biking 1000 kilometers (621 miles) over eight days with a partner to raise money for Comic Relief. He received a lovely message on what was already a very tough day three of the challenge.
Fans react to first trailer for new “peak comedy” Netflix series with Will Ferrell
According to TUDUM, Lonnie Hawkins, the top golfer in 2004, is finding it difficult to regain his former success as he nears the end of his career. While his physical health suggests it’s time to retire, he still feels driven to continue playing.
Netflix’s The OA So Good, The Final Episode Of The Sci-Fi Show Makes Fans Mad
Netflix took a big risk in 2016 with the sci-fi series The OA. While it showed promise for the platform’s science fiction content, fans were upset when the show was abruptly canceled after just two seasons. Even now, a decade later, the cancellation feels like a loss, especially since The OA hadn’t fully realized its potential.
EastEnders star Adam Woodyatt ‘lands £33,000 windfall following battle over unpaid tax after closing the management company he formed with his ex-wife Beverley Sharp’
The 57-year-old actor co-founded XL Management with his former wife, Beverley Sharp, in 2012. Recent filings reveal the company has unexpectedly received a payment of £33,000.
How To Watch Oscars 2026: Streaming Info, Start Time & Everything You Need To Know
The Academy Awards began in 1929 and are almost at their 100-year milestone. This year marks the 98th ceremony, and it promises to be a fantastic event. Popular titles like Sinners, Kpop Demon Hunter, and Weapons are all nominated for awards.
Jaime King says she has a ‘really exciting’ year ahead as she feels better than ever… after a bumpy 2025
The longtime Hollywood actress told Daily Mail she is feeling better than ever.