🧬 Just out in Biophysical Reviews:

“Machine learning interatomic potentials in biomolecular modeling: principles, architectures, and applications”
🔗 https://doi.org/10.1007/s12551-025-01351-5 MLIPs combine efficiency of force fields with quantum accuracy — now entering structural biology & computational drug discovery.
#OpenScience #Biophysics #MLIPs #MolecularDynamics #MachineLearning

Postdoc in Theoretical chemistry at TU Dresden for proton difusion
Technische Universität Dresden

See the full job description on jobRxiv: https://jobrxiv.org/job/technische-universitat-dresden-27778-postdoc-in-theoretical-chemistry-at-tu-dresden-for-proton-difusion/

#2Dmaterials #densityfunctionaltheory #membrane #moleculardynamics #quantumchemistry...
https://jobrxiv.org/job/technische-universitat-dresden-27778-postdoc-in-theoretical-chemistry-at-tu-dresden-for-proton-difusion/?fsp_sid=1173

🪨 Can sand-like molecules help us map the secrets of protein structure?

🔗 Adsorption of silica oligomers on biomolecules: Structural and dynamical insights for atom probe tomography via classic molecular dynamics simulations. Computational and Structural Biotechnology Journal, DOI: https://doi.org/10.1016/j.csbj.2025.06.004

📚 CSBJ: https://www.csbj.org/

#AtomProbeTomography #MolecularDynamics #Biophysics #ProteinStructure #Nanotech #ComputationalBiology #StructuralBiology #Biomaterials #ProteinScience

Engineering Supercomputing Platforms for Biomolecular Applications

#CUDA #ROCm #Biology #Biomolecules #MolecularDynamics #HPC #Physics #Package

https://hgpu.org/?p=29954

A Primer on Molecular Dynamics

https://www.owlposting.com/p/a-primer-on-molecular-dynamics

#HackerNews #MolecularDynamics #Science #Education #Research #Simulation

🧬 Our new paper "Allosteric amyloid catalysis by coiled coil fibrils" published in *Nat Commun*! https://doi.org/10.1038/s41467-025-60379-z

We studied amyloids facilitating β-lactam antibiotic hydrolysis - work done at BGU during wartime. I remember stopping mid-working to run to shelters.

Thanks to the amazing team: Elad Arad, Sisira Mambram Kunnath, Ran Zalk, Anat Shahar, Albert Batushansky, Hanna Rapaport & Raz Jelinek 🙏

#science #amyloids #MolecularDynamics

🐦🧭 How do migratory birds sense Earth’s magnetic field? Quantum biology might hold the answer.

🔗 Cryptochrome magnetoreception: Time course of photoactivation from non-equilibrium coarse-grained molecular dynamics. Computational and Structural Biotechnology Journal, DOI: https://doi.org/10.1016/j.csbj.2024.11.001

📚 CSBJ Quantum Biology and Biophotonics: https://www.csbj.org/qbio

#Biophysics #QuantumBiology #Magnetoreception #MolecularDynamics #BirdNavigation #ComputationalBiology #Cryptochrome