Orientation Reconstruction of Proteins using Coulomb Explosions
Fuente:
arXiv
Saved in:
| Main Authors: | André, Tomas, Bellisario, Alfredo, Timneanu, Nicusor, Caleman, Carl |
|---|---|
| Format: | Preprint |
| Published: |
2026
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Partial Orientation Retrieval of Proteins From Coulomb Explosions
by: André, Tomas, et al.
Published: (2024)
by: André, Tomas, et al.
Published: (2024)
Protein structure classification based on X-ray laser induced Coulomb explosion
by: André, Tomas, et al.
Published: (2024)
by: André, Tomas, et al.
Published: (2024)
MolDStruct: modelling the dynamics and structure of matter exposed to ultrafast X-ray lasers with hybrid collisional-radiative/molecular dynamics
by: Dawod, Ibrahim, et al.
Published: (2024)
by: Dawod, Ibrahim, et al.
Published: (2024)
Scaling Graph Neural Networks to Large Proteins
by: Airas, Justin, et al.
Published: (2024)
by: Airas, Justin, et al.
Published: (2024)
Knowledge Distillation of a Protein Language Model Yields a Foundational Implicit Solvent Model
by: Airas, Justin, et al.
Published: (2026)
by: Airas, Justin, et al.
Published: (2026)
Illuminating Protein Dynamics: A Review of Computational Methods for Studying Photoactive Proteins
by: Czach, Sylwia, et al.
Published: (2025)
by: Czach, Sylwia, et al.
Published: (2025)
Light-Matter Interactions in Photosynthetic Protein Attached to solids and Nanostructures
by: Carmeli, Itai, et al.
Published: (2024)
by: Carmeli, Itai, et al.
Published: (2024)
Characterizing RNA oligomers using Stochastic Titration Constant-pH Metadynamics simulations
by: Silva, Tomas F. D., et al.
Published: (2024)
by: Silva, Tomas F. D., et al.
Published: (2024)
Excitation of Low-Frequency Modes and the Effects of Protein Dynamics on Spectral Densities of Bacteriochlorophyll Molecules
by: Maity, Sayan, et al.
Published: (2026)
by: Maity, Sayan, et al.
Published: (2026)
Quantum-Accurate Conformational Stabilities and Vibrational Dynamics in Molecules and Proteins with Machine-Learned Force Fields
by: Suárez-Dou, Sergio, et al.
Published: (2026)
by: Suárez-Dou, Sergio, et al.
Published: (2026)
Statistical Survey of Chemical and Geometric Patterns on Protein Surfaces as a Blueprint for Protein-mimicking Nanoparticles
by: McBride, John M., et al.
Published: (2024)
by: McBride, John M., et al.
Published: (2024)
Time-Heterogeneity of the Förster Radius from Dipole Orientational Dynamics Impacts Single-Molecule FRET Experiments
by: Frost, David, et al.
Published: (2024)
by: Frost, David, et al.
Published: (2024)
Dynamical Decoherence and Memory Effects in Green Fluorescent Proteins by Dielectric Relaxation
by: Burgess, Adam, et al.
Published: (2022)
by: Burgess, Adam, et al.
Published: (2022)
Estimating Full Path Lengths and Kinetics from Partial Path Transition Interface Sampling Simulations
by: Vervust, Wouter, et al.
Published: (2026)
by: Vervust, Wouter, et al.
Published: (2026)
Auto-WHATMD : Automated Wasserstein-based High-dimensional feature extraction Analysis of Trajectories from Molecular Dynamics
by: Asano, Sosuke, et al.
Published: (2026)
by: Asano, Sosuke, et al.
Published: (2026)
Deep learning path-like collective variable for enhanced sampling molecular dynamics
by: Fröhlking, Thorben, et al.
Published: (2024)
by: Fröhlking, Thorben, et al.
Published: (2024)
Delving into the Catalytic Mechanism of Molybdenum Cofactors: A Novel Coupled Cluster Study
by: Gałyńska, Marta, et al.
Published: (2024)
by: Gałyńska, Marta, et al.
Published: (2024)
Advanced simulations with PLUMED: OPES and Machine Learning Collective Variables
by: Trizio, Enrico, et al.
Published: (2024)
by: Trizio, Enrico, et al.
Published: (2024)
Molecular Hessian matrices from a machine learning random forest regression algorithm
by: Domenichini, Giorgio, et al.
Published: (2023)
by: Domenichini, Giorgio, et al.
Published: (2023)
Breaking the Timescale Barrier: Generative Discovery of Conformational Free-Energy Landscapes and Transition Pathways
by: Tang, Chenyu, et al.
Published: (2025)
by: Tang, Chenyu, et al.
Published: (2025)
A Fixed-Volume Variant of Gibbs-Ensemble Monte Carlo Yields Significant Speedup in Binodal Calculation
by: Qin, Sanbo, et al.
Published: (2025)
by: Qin, Sanbo, et al.
Published: (2025)
Non-Equilibrium Dynamics of the Time-Dependent Excitonic Coupling in Fluorescent Protein Dimers
by: Christie, Robson, et al.
Published: (2026)
by: Christie, Robson, et al.
Published: (2026)
On the Engulfment of Antifreeze Proteins by Ice
by: Thosar, Aniket U., et al.
Published: (2024)
by: Thosar, Aniket U., et al.
Published: (2024)
Emamectin benzoate sensing using vivianenes (2D vivianites)
by: Slathia, Surbhi, et al.
Published: (2025)
by: Slathia, Surbhi, et al.
Published: (2025)
MDRefine: a Python package for refining Molecular Dynamics trajectories with experimental data
by: Gilardoni, Ivan, et al.
Published: (2024)
by: Gilardoni, Ivan, et al.
Published: (2024)
Boosting ensemble refinement with transferable force field corrections: synergistic optimization for molecular simulations
by: Gilardoni, Ivan, et al.
Published: (2023)
by: Gilardoni, Ivan, et al.
Published: (2023)
Laser-induced alignment of nanoparticles and macromolecules for single-particle-imaging applications
by: Amin, Muhamed, et al.
Published: (2023)
by: Amin, Muhamed, et al.
Published: (2023)
A Monte Carlo simulation framework for investigating the effect of inter-track coupling on H$_2$O$_2$ productions at ultra-high dose rates
by: Abolfath, Ramin, et al.
Published: (2024)
by: Abolfath, Ramin, et al.
Published: (2024)
Understanding the Salt Effects on the Liquid-Liquid Phase Separation of Proteins
by: Duan, Chao, et al.
Published: (2023)
by: Duan, Chao, et al.
Published: (2023)
Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer
by: Loco, Daniele, et al.
Published: (2025)
by: Loco, Daniele, et al.
Published: (2025)
Hierarchical Reconstruction of Time-arrow from Multi-time Correlations
by: Cheng, Yijia, et al.
Published: (2026)
by: Cheng, Yijia, et al.
Published: (2026)
Parallel accelerated electron paramagnetic resonance spectroscopy using diamond sensors
by: Huang, Zhehua, et al.
Published: (2025)
by: Huang, Zhehua, et al.
Published: (2025)
Genetically encoding stimulated Raman-scattering probes for cell imaging using infrared fluorescent proteins
by: Regan, David, et al.
Published: (2025)
by: Regan, David, et al.
Published: (2025)
Physics-Informed Weakly Supervised Learning for Interatomic Potentials
by: Takamoto, Makoto, et al.
Published: (2024)
by: Takamoto, Makoto, et al.
Published: (2024)
TorchMD-Net 2.0: Fast Neural Network Potentials for Molecular Simulations
by: Pelaez, Raul P., et al.
Published: (2024)
by: Pelaez, Raul P., et al.
Published: (2024)
SpectraMatcher: A Python Program for Interactive Analysis and Peak Assignment of Vibronic Spectra
by: Langner, Johanna, et al.
Published: (2025)
by: Langner, Johanna, et al.
Published: (2025)
How to use quantum computers for biomolecular free energies
by: Günther, Jakob, et al.
Published: (2025)
by: Günther, Jakob, et al.
Published: (2025)
Coherent X-ray Scattering Reveals Nanoscale Fluctuations in Hydrated Proteins
by: Bin, Maddalena, et al.
Published: (2023)
by: Bin, Maddalena, et al.
Published: (2023)
Neural Network Based Molecular Structure Retrieval from Coulomb Explosion Imaging Data
by: Ghanaatian, Amirhossein, et al.
Published: (2026)
by: Ghanaatian, Amirhossein, et al.
Published: (2026)
Roles of pigment arrangement in light-harvesting phycobiliproteins revealed by recombinant techniques combined with two-dimensional electronic spectroscopy
by: Tsubouchi, Masaaki, et al.
Published: (2026)
by: Tsubouchi, Masaaki, et al.
Published: (2026)
Similar Items
-
Partial Orientation Retrieval of Proteins From Coulomb Explosions
by: André, Tomas, et al.
Published: (2024) -
Protein structure classification based on X-ray laser induced Coulomb explosion
by: André, Tomas, et al.
Published: (2024) -
MolDStruct: modelling the dynamics and structure of matter exposed to ultrafast X-ray lasers with hybrid collisional-radiative/molecular dynamics
by: Dawod, Ibrahim, et al.
Published: (2024) -
Scaling Graph Neural Networks to Large Proteins
by: Airas, Justin, et al.
Published: (2024) -
Knowledge Distillation of a Protein Language Model Yields a Foundational Implicit Solvent Model
by: Airas, Justin, et al.
Published: (2026)