Our original paper about collective interactions in Nature Communications lead to a discussion. Check out the comment and our response.

Everyday I get about 2-3 invitations from predatory journals and conferences. This one triumphs them all 😅

CHARMM-GUI now supports covalent ligand modeling:

[𝗔𝗡𝗡𝗢𝗨𝗡𝗖𝗘𝗠𝗘𝗡𝗧] 📢 Chemical Computing Group & American Chemical Society ACS COMP Division, congratulate the 𝗙𝗮𝗹𝗹 2024 𝗖𝗖𝗚 𝗘𝘅𝗰𝗲𝗹𝗹𝗲𝗻𝗰𝗲 𝗔𝘄𝗮𝗿𝗱𝘀 𝘄𝗶𝗻𝗻𝗲𝗿𝘀! More info @ the ACS COMP Division Awards webpage bit.ly/2HyI1Nc #CompChem

📢New podcast episode alert! 🥳👉"Under the Surface" 😎 ep 9, The Power of Automation in Drug Development, X-Chem’s Rebecca Swett, shares insights on machine learning, women in science, and more! 😀Listen @ bit.ly/3WQGPKY #compchem #MachineLearning #DNA encoded libraries

The Clara Benson Award is presented to recognize a woman who has made a distinguished contribution to chemistry while working in Canada. Congratulations to Stacey Wetmore of ULethbridge on being the recipient of this award. buff.ly/403nGbW

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

Researchers paid $8.968 billion for their findings to be freely accessible. 🧵1/10

Just published in Physical Biology: Electrical homeostasis of the inner mitochondrial membrane potential by Peyman Fahimi, Lázaro A M Castanedo, P Thomas Vernier and Chérif F Matta iopscience.iop.org/article/10.108…

For readers interested in bispecific antibodies as cancer therapies, here's a comprehensive review nature.com/articles/s4157… rdcu.be/d8sNz

Join us - Mar 6, Sheraton King of Prussia, free hands-on #DrugDesign workshops 😎👉AM #SmallMolecule #VirtualScreening / PM #AntibodyModeling #ProteinEngineering Register soon, space is limited 👉More info @ bit.ly/4gMRAGz #DrugDiscovery #CADD #Biologics #SBDD #CompChem

On behalf of the Organizing Committee, we're excited to announce MedChem by Design 2025, South San Francisco, May 8 😎👉 1-day #MedChem symposium focusing on benefits of computer-aided #SBDD #LBDD #FBDD techniques. See: bit.ly/4be9OzL #DrugDiscovery #DrugDesign #CompChem

Join us - Mar 25, Hyperion Hotel Basel, free hands-on #DrugDesign workshops 😎👉AM #SmallMolecule #SBDD / PM #Biologics Register soon, space is limited 👉More info @ bit.ly/4eq7cj4 #DrugDiscovery #CADD #Biologics #MedChem #CompChem

Found my reviewer

On behalf of the Organizing Committee, we're thrilled to share confirmed speakers to date for MedChem by Design 2025, S. San Francisco, May 8 🎉😎👉See bit.ly/4be9OzL 1-day symposium exploring the benefits of computer-aided #SBDD #LBDD #FBDD techniques #MedChem #CompChem

[𝗔𝗡𝗡𝗢𝗨𝗡𝗖𝗘𝗠𝗘𝗡𝗧] 📢 Chemical Computing Group & American Chemical Society ACS COMP Division, congratulate the 𝗔𝗖𝗦 𝗦𝗽𝗿𝗶𝗻𝗴 2025 𝗖𝗖𝗚 𝗘𝘅𝗰𝗲𝗹𝗹𝗲𝗻𝗰𝗲 𝗔𝘄𝗮𝗿𝗱𝘀 𝘄𝗶𝗻𝗻𝗲𝗿𝘀! More info @ the ACS COMP Division Awards webpage bit.ly/2HyI1Nc #CompChem #CADD

Elon Musk: “America is the central column that holds up all of western civilization.. if that column fails, it’s all over.”

Thanks to everyone who made last week’s 2025 North American UGM & Conference in #Montreal such a success! 🤩 Special thanks to our guest speakers for their insights and energy👏👏😀 looking forward to the next meeting in 2026! 🎉 #DrugDiscovery #SmallMolecule #Peptides #Biologics

New research in Science greatly expands the potential target scope of molecular glues and should stimulate the development of new small molecules that can selectively target therapeutically relevant proteins for degradation. Learn more in this week's issue: