RNA Dynamics and Interactions Revealed through Atomistic Simulations
Fuente:
arXiv
Guardado en:
| Autores principales: | Languin-Cattoën, Olivier, Bussi, Giovanni |
|---|---|
| Formato: | Preprint |
| Publicado: |
2025
|
| Materias: | |
| Acceso en línea: | |
| Etiquetas: |
Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!
|
Ejemplares similares
Characterizing RNA oligomers using Stochastic Titration Constant-pH Metadynamics simulations
por: Silva, Tomas F. D., et al.
Publicado: (2024)
por: Silva, Tomas F. D., et al.
Publicado: (2024)
MDRefine: a Python package for refining Molecular Dynamics trajectories with experimental data
por: Gilardoni, Ivan, et al.
Publicado: (2024)
por: Gilardoni, Ivan, et al.
Publicado: (2024)
Boosting ensemble refinement with transferable force field corrections: synergistic optimization for molecular simulations
por: Gilardoni, Ivan, et al.
Publicado: (2023)
por: Gilardoni, Ivan, et al.
Publicado: (2023)
Molecular dynamics simulations with grand-canonical reweighting suggest cooperativity effects in RNA structure probing experiments
por: Calonaci, Nicola, et al.
Publicado: (2022)
por: Calonaci, Nicola, et al.
Publicado: (2022)
Integrating experimental data with molecular simulations to investigate RNA structural dynamics
por: Bernetti, Mattia, et al.
Publicado: (2022)
por: Bernetti, Mattia, et al.
Publicado: (2022)
Simulation-based inference of single-molecule experiments
por: Dingeldein, Lars, et al.
Publicado: (2024)
por: Dingeldein, Lars, et al.
Publicado: (2024)
Predicting the binding of small molecules to proteins through invariant representation of the molecular structure
por: Beccaria, R., et al.
Publicado: (2024)
por: Beccaria, R., et al.
Publicado: (2024)
Origin of Biological Homochirality by Crystallization of an RNA Precursor on a Magnetic Surface
por: Ozturk, S. Furkan, et al.
Publicado: (2023)
por: Ozturk, S. Furkan, et al.
Publicado: (2023)
Machine Learning for RNA Secondary Structure Prediction: a review of current methods and challenges
por: Sacco, Giuseppe, et al.
Publicado: (2025)
por: Sacco, Giuseppe, et al.
Publicado: (2025)
EquiJump: Protein Dynamics Simulation via SO(3)-Equivariant Stochastic Interpolants
por: Costa, Allan dos Santos, et al.
Publicado: (2024)
por: Costa, Allan dos Santos, et al.
Publicado: (2024)
MERGE-RNA: a physics-based model to predict RNA secondary structure ensembles with chemical probing
por: Sacco, Giuseppe, et al.
Publicado: (2025)
por: Sacco, Giuseppe, et al.
Publicado: (2025)
Lipid-mediated hydrophobic gating in the BK potassium channel
por: Coronel, Lucia, et al.
Publicado: (2024)
por: Coronel, Lucia, et al.
Publicado: (2024)
Interactive visualization of large molecular systems with VTX: example with a minimal whole-cell model
por: Maria, Maxime, et al.
Publicado: (2025)
por: Maria, Maxime, et al.
Publicado: (2025)
The Quantum Compass Mechanism in Cryptochromes
por: Chengye, Zou, et al.
Publicado: (2025)
por: Chengye, Zou, et al.
Publicado: (2025)
Mapping Still Matters: Coarse-Graining with Machine Learning Potentials
por: Görlich, Franz, et al.
Publicado: (2025)
por: Görlich, Franz, et al.
Publicado: (2025)
Lambda-ABF-OPES: Faster Convergence with High Accuracy in Alchemical Free Energy Calculations
por: Ansari, Narjes, et al.
Publicado: (2025)
por: Ansari, Narjes, et al.
Publicado: (2025)
Efficient and Precise Force Field Optimization for Biomolecules Using DPA-2
por: Chang, Junhan, et al.
Publicado: (2024)
por: Chang, Junhan, et al.
Publicado: (2024)
Diffusion and Spectroscopy of H$_2$ in Myoglobin
por: Käser, Jiri, et al.
Publicado: (2024)
por: Käser, Jiri, et al.
Publicado: (2024)
SynAsk: Unleashing the Power of Large Language Models in Organic Synthesis
por: Zhang, Chonghuan, et al.
Publicado: (2024)
por: Zhang, Chonghuan, et al.
Publicado: (2024)
Entropy as a Design Principle in the Photosystem II Supercomplex
por: Hall, Johanna L., et al.
Publicado: (2024)
por: Hall, Johanna L., et al.
Publicado: (2024)
Generating Minimum Free Energy Paths With Denoising Diffusion Probabilistic Models
por: Grigorev, Vladimir
Publicado: (2024)
por: Grigorev, Vladimir
Publicado: (2024)
New water oxidation mechanism in Photosystem II resolves major experimental controversies
por: Pushkar, Yulia
Publicado: (2026)
por: Pushkar, Yulia
Publicado: (2026)
Learning Collective Variables with Synthetic Data Augmentation through Physics-Inspired Geodesic Interpolation
por: Yang, Soojung, et al.
Publicado: (2024)
por: Yang, Soojung, et al.
Publicado: (2024)
Time-dependent DFT-based study of bacteriochlorophyll a optical properties within the B800 part of Rhodoblastus acidophilus light-harvesting complex
por: Kovaleva, Evgenia A., et al.
Publicado: (2025)
por: Kovaleva, Evgenia A., et al.
Publicado: (2025)
VTX: Real-time high-performance molecular structure and dynamics visualization software
por: Maria, Maxime, et al.
Publicado: (2025)
por: Maria, Maxime, et al.
Publicado: (2025)
Revealing the Relationship Between Publication Bias and Chemical Reactivity with Contrastive Learning
por: Gao, Wenhao, et al.
Publicado: (2024)
por: Gao, Wenhao, et al.
Publicado: (2024)
Genetically encoding stimulated Raman-scattering probes for cell imaging using infrared fluorescent proteins
por: Regan, David, et al.
Publicado: (2025)
por: Regan, David, et al.
Publicado: (2025)
Design, Assessment, and Application of Machine Learning Potential Energy Surfaces
por: Andreichev, Valerii, et al.
Publicado: (2025)
por: Andreichev, Valerii, et al.
Publicado: (2025)
Statistical Survey of Chemical and Geometric Patterns on Protein Surfaces as a Blueprint for Protein-mimicking Nanoparticles
por: McBride, John M., et al.
Publicado: (2024)
por: McBride, John M., et al.
Publicado: (2024)
A unified framework for coarse grained molecular dynamics of proteins with high-fidelity reconstruction
por: Zhu, Jinzhen
Publicado: (2024)
por: Zhu, Jinzhen
Publicado: (2024)
Molecular docking via quantum approximate optimization algorithm
por: Ding, Qi-Ming, et al.
Publicado: (2023)
por: Ding, Qi-Ming, et al.
Publicado: (2023)
An Allosteric Model for the Influence of $\text{H}^+$ and $\text{CO}_2$ on Oxygen-Hemoglobin Binding
por: Huang, Heming, et al.
Publicado: (2024)
por: Huang, Heming, et al.
Publicado: (2024)
Molecular simulations to investigate the impact of N6-methylation in RNA recognition: Improving accuracy and precision of binding free energy prediction
por: Piomponi, Valerio, et al.
Publicado: (2024)
por: Piomponi, Valerio, et al.
Publicado: (2024)
Hessian Matching for Machine-Learned Coarse-Grained Molecular Dynamics
por: Murdeshwar, Sanya, et al.
Publicado: (2026)
por: Murdeshwar, Sanya, et al.
Publicado: (2026)
Force-Guided Bridge Matching for Full-Atom Time-Coarsened Dynamics of Peptides
por: Yu, Ziyang, et al.
Publicado: (2024)
por: Yu, Ziyang, et al.
Publicado: (2024)
A Novel 4-D Dataset Paradigm for Studying Complete Ligand-Protein Dissociation Dynamics
por: Li, Maodong, et al.
Publicado: (2025)
por: Li, Maodong, et al.
Publicado: (2025)
EquiBoost: An Equivariant Boosting Approach to Molecular Conformation Generation
por: Yang, Yixuan, et al.
Publicado: (2025)
por: Yang, Yixuan, et al.
Publicado: (2025)
De Novo Molecular Design Enabled by Direct Preference Optimization and Curriculum Learning
por: Hou, Junyu
Publicado: (2025)
por: Hou, Junyu
Publicado: (2025)
Clever Hans in Chemistry: Chemist Style Signals Confound Activity Prediction on Public Benchmarks
por: Blevins, Andrew D., et al.
Publicado: (2025)
por: Blevins, Andrew D., et al.
Publicado: (2025)
A 3D pocket-aware and evolutionary conserved interaction guided diffusion model for molecular optimization
por: Qiao, Anjie, et al.
Publicado: (2025)
por: Qiao, Anjie, et al.
Publicado: (2025)
Ejemplares similares
-
Characterizing RNA oligomers using Stochastic Titration Constant-pH Metadynamics simulations
por: Silva, Tomas F. D., et al.
Publicado: (2024) -
MDRefine: a Python package for refining Molecular Dynamics trajectories with experimental data
por: Gilardoni, Ivan, et al.
Publicado: (2024) -
Boosting ensemble refinement with transferable force field corrections: synergistic optimization for molecular simulations
por: Gilardoni, Ivan, et al.
Publicado: (2023) -
Molecular dynamics simulations with grand-canonical reweighting suggest cooperativity effects in RNA structure probing experiments
por: Calonaci, Nicola, et al.
Publicado: (2022) -
Integrating experimental data with molecular simulations to investigate RNA structural dynamics
por: Bernetti, Mattia, et al.
Publicado: (2022)