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It is very sad to learn that Martin Karplus passed away on Dec 28 at age 94. He was a scholar and pioneering chemical physicist with great contributions in many areas including molecular dynamics. We interacted many times starting from my graduate time at Harvard. His legacy is

This is just to alert you that SBDD2025 will happen! Dates are 1-3 October, usual wonderful location, in Sestri Levante - Italy! sbdd-congress.it Stay tuned for more news on the program, etc. Registration will open soon with minimal fees, but also limited sits! 💪🤗

Applications of Free-Energy Calculations to Biomolecular Processes. A Collection | Journal of Chemical Information and Modeling pubs.acs.org/doi/10.1021/ac…

Some #FEP history. I presented our ethane to methanol calculations at an NSF workshop in Spring 1985 that was attended by Martin Karplus and stat mech folks. Here is a subsequent letter from him and the first page of the draft of JCP 1985, 83, 3050. I sent him the preprint.

We have a fully funded #compchem #PhD position available to join our team (duartegroupchem.org)! If you know potential candidates interested in combining physorgchem and #ML please share this opportunity with them! 🗓️Deadline: 31/01/25 ✉️Application: shorturl.at/nHyAo

Please check it out - postdoc is available in Struct Biol for Drug Discovery in Cancer in my group at IIT. Great project with potential for impactful results, papers and more ... iit.taleo.net/careersection/…

Some budgets in$: NSF 9B, NASA 25B, NIH 47B, USAID ca 30B. For NSF, #Chemistry ca 225M and #MaterialsScience ca 275M. Given the impact of Chem and MS, this is absurd. NSF is grossly underfunded, but Chem 0.225/9 = 2.5% is mismanagement. #WakeUp Department of Government Efficiency

Since there has been a lot of misinformation circulating since last night, I find this AAMC infographic helpful in illustrating which types of expenses are and are not covered by NIH indirect cost reimbursements.

Dinner at Mory's after a wonderful visit by Ron Levy! Attendees; WJ, Ron, Tianyu Zhu, John Tully, Julian T-R, and Victor Batista. Yale Chemistry Temple University #CompChem

Trump administration cancels $400 million in grants to Columbia University msn.com/en-us/news/us/… Columbia University

Wonderful symposium in Kyoto honoring Mike Klein @Temple They even have symposium chocolate bars! A new standard.

At National Taiwan Univ in Taipei for super symposium honoring Profs. Mike Klein and Yuen-Ron Shen. Temple University UC Berkeley

Wed March 26 st 2.35pm, Marco Borgogno IAMA Therapeutics has been invited to present at the FIRST TIME DISCLOSURES session, #ACSSpring2025 in San Diego. Discovery&results of our clinical candidate IAMA6 will be reported. Targeting CNS with small molecules. Join the event&stay tuned!

Happy to participate in the Yale US - China Forum. Stimulating talks on topics from #AI to Philosophy. Perfect organization by students! Yale University #YaleChina

Great time visiting Vanderbilt University Nathan Schley John Yang chem fac and students. Beautiful place!

Two books on orbitals well worth your time.

Basic science is grossly underfunded in the US, but NSF could use some refocusing and better communicating. Exclusive: NSF director to resign amid grant terminations, job cuts, and controversy | Science | AAAS science.org/content/articl…