Over 100 experts in #MolecularSimulation, coordinated by #IRBBarcelona, have published an article in @naturemethods.bsky.social advocating for a paradigm shift in #MolecularDynamics data management.
Read more here ➡️ https://f.mtr.cool/prgasqrqyx
📌 DOI: 10.1038/s41592-025-02635-0
#IRBScience 🧪
Read more here ➡️ https://f.mtr.cool/prgasqrqyx
📌 DOI: 10.1038/s41592-025-02635-0
#IRBScience 🧪
April 30, 2025 at 9:02 AM
Over 100 experts in #MolecularSimulation, coordinated by #IRBBarcelona, have published an article in @naturemethods.bsky.social advocating for a paradigm shift in #MolecularDynamics data management.
Read more here ➡️ https://f.mtr.cool/prgasqrqyx
📌 DOI: 10.1038/s41592-025-02635-0
#IRBScience 🧪
Read more here ➡️ https://f.mtr.cool/prgasqrqyx
📌 DOI: 10.1038/s41592-025-02635-0
#IRBScience 🧪
Over 100 experts in #MolecularSimulation coordinated by @irbbarcelona.org, publish in @naturemethods.bsky.social
advocating the implementation of the #FAIRprinciples in #MolecularDynamics data management.
“We must treat data as a shared resource for science”, Dr Modesto Orozco.
bit.ly/3EVXR5Y
advocating the implementation of the #FAIRprinciples in #MolecularDynamics data management.
“We must treat data as a shared resource for science”, Dr Modesto Orozco.
bit.ly/3EVXR5Y
May 7, 2025 at 10:43 AM
Over 100 experts in #MolecularSimulation coordinated by @irbbarcelona.org, publish in @naturemethods.bsky.social
advocating the implementation of the #FAIRprinciples in #MolecularDynamics data management.
“We must treat data as a shared resource for science”, Dr Modesto Orozco.
bit.ly/3EVXR5Y
advocating the implementation of the #FAIRprinciples in #MolecularDynamics data management.
“We must treat data as a shared resource for science”, Dr Modesto Orozco.
bit.ly/3EVXR5Y
📝 Call for Papers: Special Issue on "Mechanistic insights into membrane protein dynamics and allostery: implications in drug discovery"
🔗Link to the 'Call for Papers': www.csbj.org/allostery
#membraneproteins #proteindynamics #drugdiscovery #molecularsimulation @alphafold.bsky.social
🔗Link to the 'Call for Papers': www.csbj.org/allostery
#membraneproteins #proteindynamics #drugdiscovery #molecularsimulation @alphafold.bsky.social
December 9, 2024 at 10:21 AM
📝 Call for Papers: Special Issue on "Mechanistic insights into membrane protein dynamics and allostery: implications in drug discovery"
🔗Link to the 'Call for Papers': www.csbj.org/allostery
#membraneproteins #proteindynamics #drugdiscovery #molecularsimulation @alphafold.bsky.social
🔗Link to the 'Call for Papers': www.csbj.org/allostery
#membraneproteins #proteindynamics #drugdiscovery #molecularsimulation @alphafold.bsky.social
1/2. 🔬💡🤖 Revolutionizing molecular simulations! AI. www.azoai.com/news/2024051... #AI #DeepLearning #MolecularSimulation #Science #Innovation #Research #Technology #MaterialsScience #DrugDiscovery #MachineLearning @natureportfolio.bsky.social
DPA-1: A Deep Potential Model for Molecular Simulation
Researchers introduced DPA-1, a deep potential model with a gated attention mechanism, for representing atomic system conformation and chemical spaces. DPA-1 demonstrated superior performance in learn...
www.azoai.com
May 16, 2024 at 2:29 AM
1/2. 🔬💡🤖 Revolutionizing molecular simulations! AI. www.azoai.com/news/2024051... #AI #DeepLearning #MolecularSimulation #Science #Innovation #Research #Technology #MaterialsScience #DrugDiscovery #MachineLearning @natureportfolio.bsky.social
#Postdoctoral Fellow – IIT Kanpur, India
Funded AI4Science Project | Focus: #MolecularSimulation & AI in Surfactant Design
Eligibility: PhD in Physics, Chemistry, or Chemical Engineering
Deadline: 15 Oct 2025
Details: higherjobz.com/postdoc-mole...
#Postdoc #IndiaJobs #ResearchJobs #AcademicJobs
Funded AI4Science Project | Focus: #MolecularSimulation & AI in Surfactant Design
Eligibility: PhD in Physics, Chemistry, or Chemical Engineering
Deadline: 15 Oct 2025
Details: higherjobz.com/postdoc-mole...
#Postdoc #IndiaJobs #ResearchJobs #AcademicJobs
Postdoctoral in Molecular Simulation at IIT Kanpur – Apply Now HigherJobz
Apply for a Project Postdoctoral Fellow at IIT Kanpur in AI-driven molecular simulation. Full-time contract. Deadline 15 Oct 2025. Apply now!
higherjobz.com
October 2, 2025 at 4:21 AM
#Postdoctoral Fellow – IIT Kanpur, India
Funded AI4Science Project | Focus: #MolecularSimulation & AI in Surfactant Design
Eligibility: PhD in Physics, Chemistry, or Chemical Engineering
Deadline: 15 Oct 2025
Details: higherjobz.com/postdoc-mole...
#Postdoc #IndiaJobs #ResearchJobs #AcademicJobs
Funded AI4Science Project | Focus: #MolecularSimulation & AI in Surfactant Design
Eligibility: PhD in Physics, Chemistry, or Chemical Engineering
Deadline: 15 Oct 2025
Details: higherjobz.com/postdoc-mole...
#Postdoc #IndiaJobs #ResearchJobs #AcademicJobs
Important work. Also rare (and welcome!) to see authors of #singlemolecule studies offering such a broad perspective.
We think most systems obey #detailedbalance so these mechanisms that demonstrate exceptions are very interesting.
#biophysics #molecularsimulation
We think most systems obey #detailedbalance so these mechanisms that demonstrate exceptions are very interesting.
#biophysics #molecularsimulation
Experimental evidence of symmetry breaking of transition-path times
www.nature.com/articles/s41...
www.nature.com/articles/s41...
Experimental evidence of symmetry breaking of transition-path times - Nature Communications
Microscopic transition mechanisms impact many biophysical systems. In this work, the authors explore transition path times between thermodynamic states experimentally, and show symmetry breaking in th...
www.nature.com
June 11, 2025 at 3:22 PM
Important work. Also rare (and welcome!) to see authors of #singlemolecule studies offering such a broad perspective.
We think most systems obey #detailedbalance so these mechanisms that demonstrate exceptions are very interesting.
#biophysics #molecularsimulation
We think most systems obey #detailedbalance so these mechanisms that demonstrate exceptions are very interesting.
#biophysics #molecularsimulation
Research: pubs.aip.org/aip/jcp/arti...
The Journal of Chemical Physics, @AIP_Publishing
#aippublishing #drugdiscoverywithquantumcomputers #iitkharagpur #india #molecularsimulation #quantumchemistryalgorithm #quantumcomputing #variationalquantumeigensolver
The Journal of Chemical Physics, @AIP_Publishing
#aippublishing #drugdiscoverywithquantumcomputers #iitkharagpur #india #molecularsimulation #quantumchemistryalgorithm #quantumcomputing #variationalquantumeigensolver
SHARC-VQE: Simplified Hamiltonian approach with refinement and correction enabled variational quantum eigensolver for molecular simulation
Quantum computing is finding increasingly more applications in quantum chemistry, particularly to simulate electronic structure and molecular properties of simp
pubs.aip.org
September 17, 2025 at 3:20 PM
Research: pubs.aip.org/aip/jcp/arti...
The Journal of Chemical Physics, @AIP_Publishing
#aippublishing #drugdiscoverywithquantumcomputers #iitkharagpur #india #molecularsimulation #quantumchemistryalgorithm #quantumcomputing #variationalquantumeigensolver
The Journal of Chemical Physics, @AIP_Publishing
#aippublishing #drugdiscoverywithquantumcomputers #iitkharagpur #india #molecularsimulation #quantumchemistryalgorithm #quantumcomputing #variationalquantumeigensolver
🔗 When does molecular dynamics improve RNA models? Insights from CASP15 and practical guidelines. Computational and Structural Biotechnology Journal, DOI: doi.org/10.1016/j.cs...
📚 CSBJ: www.csbj.org
#RNA #StructuralBiology #ComputationalBiology #Bioinformatics #MolecularSimulation #Biophysics
📚 CSBJ: www.csbj.org
#RNA #StructuralBiology #ComputationalBiology #Bioinformatics #MolecularSimulation #Biophysics
October 8, 2025 at 12:25 AM
🔗 When does molecular dynamics improve RNA models? Insights from CASP15 and practical guidelines. Computational and Structural Biotechnology Journal, DOI: doi.org/10.1016/j.cs...
📚 CSBJ: www.csbj.org
#RNA #StructuralBiology #ComputationalBiology #Bioinformatics #MolecularSimulation #Biophysics
📚 CSBJ: www.csbj.org
#RNA #StructuralBiology #ComputationalBiology #Bioinformatics #MolecularSimulation #Biophysics
Researchers Used a One-Atom Quantum Computer to Simulate Real Molecules Over Time #Science #Physics #QuantumPhysics #QuantumComputing #MolecularSimulation #InnovativeTechnology
Researchers Used a One-Atom Quantum Computer to Simulate Real Molecules Over Time
The team says their method is a million times more resource-efficient than standard quantum approaches. When a molecule absorbs light, it undergoes a whirlwind of quantum-mechanical transformations. Electrons...
purescience.news
May 20, 2025 at 11:45 PM
Researchers Used a One-Atom Quantum Computer to Simulate Real Molecules Over Time #Science #Physics #QuantumPhysics #QuantumComputing #MolecularSimulation #InnovativeTechnology
Más de 100 expertos, coordinados desde el #IRBBarcelona, reclaman que los datos en simulación molecular se ajusten a los principios 'Fair': accesibles, interoperables, fáciles de encontrar y reutilizables.
📰 @lavanguardia.com
🔗 https://f.mtr.cool/ncjierxuzt
#IRBScience #MolecularSimulation
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📰 @lavanguardia.com
🔗 https://f.mtr.cool/ncjierxuzt
#IRBScience #MolecularSimulation
🧪
May 2, 2025 at 7:31 AM
Más de 100 expertos, coordinados desde el #IRBBarcelona, reclaman que los datos en simulación molecular se ajusten a los principios 'Fair': accesibles, interoperables, fáciles de encontrar y reutilizables.
📰 @lavanguardia.com
🔗 https://f.mtr.cool/ncjierxuzt
#IRBScience #MolecularSimulation
🧪
📰 @lavanguardia.com
🔗 https://f.mtr.cool/ncjierxuzt
#IRBScience #MolecularSimulation
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