Cover Image

Protein structure classification based on X-ray laser induced Coulomb explosion

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	André, Tomas, Dawod, Ibrahim, Cardoch, Sebastian, De Santis, Emiliano, Timneanu, Nicusor, Caleman, Carl
Format:	Preprint
Published:	2024
Subjects:	Chemical Physics Biological Physics Computational Physics
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

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)

Partial Orientation Retrieval of Proteins From Coulomb Explosions
by: André, Tomas, et al.
Published: (2024)

Orientation Reconstruction of Proteins using Coulomb Explosions
by: André, Tomas, et al.
Published: (2026)

Probing the structure of cyclic hydrocarbon molecules with X-ray-induced Coulomb explosion imaging
by: Borne, Kurtis D., et al.
Published: (2026)

X-ray Coulomb explosion imaging reveals role of molecular structure in internal conversion
by: Jahnke, Till, et al.
Published: (2024)

Coherent X-ray Scattering Reveals Nanoscale Fluctuations in Hydrated Proteins
by: Bin, Maddalena, et al.
Published: (2023)

Illuminating Protein Dynamics: A Review of Computational Methods for Studying Photoactive Proteins
by: Czach, Sylwia, et al.
Published: (2025)

Molecular dynamics simulation analysis of structural dynamic cross correlation induced by odorant hydrogen-bonding in mouse eugenol olfactory receptor
by: Okamoto, Chisato, et al.
Published: (2023)

Light-Matter Interactions in Photosynthetic Protein Attached to solids and Nanostructures
by: Carmeli, Itai, et al.
Published: (2024)

Multiscale Biomolecular Simulations in the Exascale Era
by: Carrasco-Busturia, David, et al.
Published: (2024)

Quantum-Accurate Conformational Stabilities and Vibrational Dynamics in Molecules and Proteins with Machine-Learned Force Fields
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)

Scaling Graph Neural Networks to Large Proteins
by: Airas, Justin, et al.
Published: (2024)

Ab initio study of highly charged ion-induced Coulomb explosion imaging
by: Viveiros, Misa, et al.
Published: (2025)

Dynamical Decoherence and Memory Effects in Green Fluorescent Proteins by Dielectric Relaxation
by: Burgess, Adam, et al.
Published: (2022)

Non-Equilibrium Dynamics of the Time-Dependent Excitonic Coupling in Fluorescent Protein Dimers
by: Christie, Robson, et al.
Published: (2026)

On the Engulfment of Antifreeze Proteins by Ice
by: Thosar, Aniket U., et al.
Published: (2024)

Knowledge Distillation of a Protein Language Model Yields a Foundational Implicit Solvent Model
by: Airas, Justin, et al.
Published: (2026)

Fragmentation in Coulomb explosion of hydrocarbon molecules
by: Taylor, Samuel S., et al.
Published: (2024)

Characterizing RNA oligomers using Stochastic Titration Constant-pH Metadynamics simulations
by: Silva, Tomas F. D., et al.
Published: (2024)

Enantioselective radical reactions can be induced by electron spin polarization: A quantum mechanism for Nature's emergent homochirality?
by: Fay, Thomas P
Published: (2025)

Exploiting correlations in multi-coincidence Coulomb explosion patterns for differentiating molecular structures using machine learning
by: Venkatachalam, Anbu Selvam, et al.
Published: (2025)

Practical protein-pocket hydration-site prediction for drug discovery on a quantum computer
by: Loco, Daniele, et al.
Published: (2025)

Laser-induced alignment of nanoparticles and macromolecules for single-particle-imaging applications
by: Amin, Muhamed, et al.
Published: (2023)

Excitation of Low-Frequency Modes and the Effects of Protein Dynamics on Spectral Densities of Bacteriochlorophyll Molecules
by: Maity, Sayan, et al.
Published: (2026)

On the Origins of Life's Homochirality: Inducing Enantiomeric Excess with Spin-Polarized Electrons
by: Ozturk, S. Furkan, et al.
Published: (2022)

Temperature-Enhanced Coercive Field by Chiral Molecules
by: Kapon, Yael, et al.
Published: (2024)

A Fluorescent Ratiometric Potassium Sensor Based on IPG4-Silica Microparticles for Selective Detection and Fluorescence Imaging of Potassium Cations
by: Colella, Francesco, et al.
Published: (2024)

Recent advances on the spherical metal oxides for sustainable degradation of antibiotics
by: Zhu, Ke, et al.
Published: (2024)

Automated optimization of force field parameters against ensemble-averaged measurements with Bayesian Inference of Conformational Populations
by: Raddi, Robert M., et al.
Published: (2024)

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)

Collective Variable-Guided Engineering of the Free-Energy Surface of a Small Peptide
by: Medaparambath, Muralika, et al.
Published: (2026)

Is There Elliptic Distortion in the Light Harvesting Complex 2 of Purple Bacteria?
by: Jang, Seogjoo J., et al.
Published: (2026)

Statistical method for analysis of interactions between chosen protein and chondroitin sulfate in an aqueous environment
by: Weber, Piotr, et al.
Published: (2022)

Messenger size optimality in cellular communications
by: Tirandaz, Arash, et al.
Published: (2024)

Non-toxic fabrication of fluorescent carbon nanoparticles from medicinal plants/sources with their antioxidant assay
by: Singh, Parul, et al.
Published: (2024)

The central dogma of biological homochirality: How does chiral information propagate in a prebiotic network?
by: Ozturk, S. Furkan, et al.
Published: (2023)

In vitro degradation and cytotoxicity response of biobased nanoparticle prepared by thiol-ene polymerization in miniemulsion
by: Hoelscher, Fernanda, et al.
Published: (2024)

Controlling the biodegradation rates of poly(globalide-co-ε-caprolactone) copolymers by post polymerization modification
by: Guindani, Camila, et al.
Published: (2024)

Dependence of energy relaxation and vibrational coherence on the location of light-harvesting chromoproteins in photosynthetic antenna protein complexes
by: Tsubouchi, Masaaki, et al.
Published: (2025)