Copertina

Raman spectra of amino acids and peptides from machine learning polarizabilities

Fuente: arXiv

Salvato in:

Dettagli Bibliografici
Autori principali:	Berger, Ethan, Niemelä, Juha, Lampela, Outi, Juffer, André H., Komsa, Hannu-Pekka
Natura:	Preprint
Pubblicazione:	2024
Soggetti:	Computational Physics Biological Physics
Accesso online:	Acceder al recurso
Tags:	Aggiungi Tag Nessun Tag, puoi essere il primo ad aggiungerne!!

Documenti analoghi

Screening of material defects using universal machine-learning interatomic potentials
di: Berger, Ethan, et al.
Pubblicazione: (2025)

Fine-tuning of universal machine-learning interatomic potentials for 2D high-entropy alloys
di: Zhou, Chun, et al.
Pubblicazione: (2026)

Massive Discovery of Low-Dimensional Materials from Universal Computational Strategy
di: Bagheri, Mohammad, et al.
Pubblicazione: (2025)

Structure–spectrum relationship in the calculated Raman spectra of silicates
di: Mohammad Bagheri, et al.
Pubblicazione: (2024)

Recognizing and generating knotted molecular structures by machine learning
di: Zhang, Zhiyu, et al.
Pubblicazione: (2025)

Prediction of excitable wave dynamics using machine learning
di: Mulimani, Mahesh Kumar, et al.
Pubblicazione: (2024)

Molecular Hessian matrices from a machine learning random forest regression algorithm
di: Domenichini, Giorgio, et al.
Pubblicazione: (2023)

Screening of Material Defects using Universal Machine‐Learning Interatomic Potentials
di: Ethan Berger, et al.
Pubblicazione: (2025)

Liquid-liquid phase separation of proteins is modulated by amino acids in vitro and in vivo by regulating protein-protein interactions
di: Xu, Xufeng, et al.
Pubblicazione: (2024)

On the design space between molecular mechanics and machine learning force fields
di: Wang, Yuanqing, et al.
Pubblicazione: (2024)

Hierarchical quantum embedding by machine learning for large molecular assemblies
di: Bensberg, Moritz, et al.
Pubblicazione: (2025)

On the role of nuclear quantum effects on the stability of peptides
di: Shen, Jing, et al.
Pubblicazione: (2025)

Rapid, antibiotic incubation-free determination of tuberculosis drug resistance using machine learning and Raman spectroscopy
di: Ogunlade, Babatunde, et al.
Pubblicazione: (2023)

Identifying the leading dynamics of ubiquitin: a comparison between the tICA and the LE4PD slow fluctuations in amino acids' position
di: Beyerle, Eric, et al.
Pubblicazione: (2021)

An evaluation of machine learning/molecular mechanics end-state corrections with mechanical embedding to calculate relative protein-ligand binding free energies
di: Karwounopoulos, Johannes, et al.
Pubblicazione: (2024)

When climate variables improve the dengue forecasting: a machine learning approach
di: da Silva, Sidney T., et al.
Pubblicazione: (2024)

Short-lived memory in multidimensional spectra encodes full signal evolution
di: Sayer, Thomas, et al.
Pubblicazione: (2026)

Deep learning path-like collective variable for enhanced sampling molecular dynamics
di: Fröhlking, Thorben, et al.
Pubblicazione: (2024)

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

Enhancement of cell membrane poration by the antimicrobial peptide Melp5
di: Li, Qixuan, et al.
Pubblicazione: (2023)

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

Computational predictions of nutrient precipitation for intensified cell 1 culture media via amino acid solution thermodynamics
di: Reddy, Jayanth Venkatarama, et al.
Pubblicazione: (2025)

A theoretical framework for learning through structural plasticity
di: Tiddia, Gianmarco, et al.
Pubblicazione: (2023)

Protein structure classification based on X-ray laser induced Coulomb explosion
di: André, Tomas, et al.
Pubblicazione: (2024)

Imaging neurotransmitter transport in live cells with stimulated Raman scattering microscopy
di: Manifold, Bryce, et al.
Pubblicazione: (2022)

MolDStruct: modelling the dynamics and structure of matter exposed to ultrafast X-ray lasers with hybrid collisional-radiative/molecular dynamics
di: Dawod, Ibrahim, et al.
Pubblicazione: (2024)

Fast biological imaging with quantum-enhanced Raman microscopy
di: Terrasson, Alex, et al.
Pubblicazione: (2024)

Reinforcement learning of a biflagellate model microswimmer
di: Bulusu, Sridhar, et al.
Pubblicazione: (2025)

Modeling Optical Polarization Evolution in Myelinated Axon Waveguides with Realistic Imperfections
di: Davies, Ethan, et al.
Pubblicazione: (2026)

Selective Photothermal Eradication of Glioblastoma Cells Coexisting with Astrocytes by anti-EGFR Coated Raman Tags
di: Chang, Yung-Ching, et al.
Pubblicazione: (2025)

Diversity in emergent cell locomotion from the coupling cytosolic and cortical Marangoni flows with reaction-diffusion dynamics
di: Ivšić, Blaž, et al.
Pubblicazione: (2025)

Structure determination from single-molecule X-ray scattering images using stochastic gradient ascent
di: Schultze, Steffen, et al.
Pubblicazione: (2025)

A dispersal recolonisation 3D biofilm in vitro model based on co-assembled peptide amphiphiles and clinical wound fluid
di: Yu, Zhiquan, et al.
Pubblicazione: (2025)

Sensitivity of peptide conformational dynamics in carbon nanotubes to directional mechanical forces
di: Nepomuceno, Felipe C., et al.
Pubblicazione: (2024)

Label-free SERS Discrimination of Native Proline Hydroxylation at Single-molecule peptide by Deep Learning-assisted plasmonic nanopore
di: Zhao, Yingqi, et al.
Pubblicazione: (2026)

An insertable glucose sensor using a compact and cost-effective phosphorescence lifetime imager and machine learning
di: Goncharov, Artem, et al.
Pubblicazione: (2024)

Virtual ultrasound machine operating in a GHz to MHz frequency range for particle-based biomedical simulations
di: Čoko, Urban, et al.
Pubblicazione: (2026)

Detecting collagen by machine learning improved photoacoustic spectral analysis for breast cancer diagnostics: feasibility studies with murine models
di: Li, Jiayan, et al.
Pubblicazione: (2024)

Formation of extraterrestrial peptides and their derivatives
di: Krasnokutski, Serge A., et al.
Pubblicazione: (2024)

Exploration of the potential energy surface for the conformational interconversion of the amyloid $β$ peptide at the fibril end
di: Oishi, Yasuhiro, et al.
Pubblicazione: (2025)