Targeting protein–ligand neosurfaces with a generalizable deep learning tool nature 1. This study introduces MaSIF-neosurf, a novel deep learning framework for designing proteins that target neosurfaces—protein-ligand interfaces—using geometric deep learning and molecular

Computationally designed stem-epitope mimetics elicit broadly reactive antibodies 1. The study introduces a novel approach to vaccine design, focusing on computationally engineered stem-epitope mimetics that aim to elicit broadly neutralizing antibodies (bnAbs) against the

Join my team! Please, tweet it. #AI #MachineLearningandAI #Artificialintelligence #MachineLearning #proteins #enzymes

Enhancing Protein Graph Representations through Static-Dynamic Fusion 1/ This study introduces a novel approach that combines static structural information with dynamic motion data derived from molecular dynamics simulations, improving protein modeling and property prediction.

I think Elon Musk should be expelled from the British Royal Society. Not because he peddles conspiracy theories and makes Nazi salutes, but because of the huge damage he is doing to scientific institutions in the US. Now let's see if he really believes in free speech.

🚨 Check out DrugFlow, our new generative model for structure-based drug design. DrugFlow provides an atom-level confidence score for each designed molecule, and can adjust molecular size on the fly! Additional details in thread 🧵 #ICLR2025

DynamicGT: a dynamic-aware geometric transformer model to predict protein binding interfaces in flexible and disordered regions 1. The paper introduces DynamicGT, a geometric transformer-based model designed to predict protein binding sites by incorporating conformational

Next Tues (4/1) at **11AM** ET we will have Anthony Marchand present "Targeting protein–ligand neosurfaces with a generalizable deep learning tool" Paper: nature.com/articles/s4158… Sign up on our website for zoom links!

Excited to be at #ICLR2025 and happy to chat about ML and drug discovery! 🇸🇬 Come find me at one of our posters or feel free to reach out directly! 1. DrugFlow: #9 Thu 24/04 10am 2. SynFlowNet: #15 Fri 25/04 10am 3. LDDM: GEMBio Workshop 27/04 4. LatentFrag: #AI4MAT 28/04

امیدوارم که خانواده هاتون سالم باشن، چشمهامون اشک آلوده برای ایران، برای کودکان و ادم های بیگناه که به خاک و خون کشیده شدن. برای همه دانشجویان ایرانی در زمینه هوش مصنوعی و بیوانفرماتیک و زیست شناسی محاسباتی که دچار مشکل شدن برای ادامه تحصیل یا تحقیقاتشون، به من ایمیل بزننین برای

Of 1,481 Iranian casualties from Israeli attacks, 90% are civilians, not military personnel. So far, 244 children, women, and men have been killed in Iran by these attacks, according to the Iranian Ministry of Health. This brutal attack must end immediately. #CeasefireNow

DynaRepo: The repository of macromolecular conformational dynamics 1. DynaRepo is a novel repository that addresses the critical gap in studying the dynamic behavior of macromolecules, which is essential for understanding interactions like antibody–antigen recognition and

We were invited to write a preview about SHAPES, a great recent work from Possu Huang Lab. I really enjoyed this paper! It shows how far we still are from sampling the protein structural space without bias. Our preview just came out, check it out here: authors.elsevier.com/a/1ldzw8YyDfuZ…

🚨 Postdoc Opening 🚨 Fully funded 2-year position Inria (Nancy, 🇫🇷) to study allosteric signaling 🧬 with graph neural networks + molecular dynamics. High-risk/high-reward project (PIQ grant). Apply 👉 recrutement.inria.fr/public/classic… #PostdocJob #DeepLearning #MolecularDynamic

Exciting to see our protein binder design pipeline BindCraft published in its final form in nature ! This has been an amazing collaborative effort with Lennart, Christian Schellhaas, Sergey Ovchinnikov, Bruno Correia and many other amazing lab members and collaborators. nature.com/articles/s4158…

De novo design of phosphorylation-induced protein switches for synthetic signaling in cells 1. Researchers have developed a method to design synthetic proteins that can switch states in response to phosphorylation, mimicking natural cellular signaling mechanisms. This