Buchumschlag

The Protein Force Field Plays a Crucial Role in Obtaining Accurate Macromolecular Ensembles of IDPs

Fuente: arXiv

Gespeichert in:

Bibliographische Detailangaben
Hauptverfasser:	Adhikari, Rohan S., Shi, Winnie H., Marciel, Amanda B., Chapman, Walter G.
Format:	Preprint
Veröffentlicht:	2025
Schlagworte:	Biological Physics
Online-Zugang:	Acceder al recurso
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!

Ähnliche Einträge

Quantum-Accurate Conformational Stabilities and Vibrational Dynamics in Molecules and Proteins with Machine-Learned Force Fields
von: Suárez-Dou, Sergio, et al.
Veröffentlicht: (2026)

Scalable Machine Learning Force Fields for Macromolecular Systems Through Long-Range Aware Message Passing
von: Wang, Chu, et al.
Veröffentlicht: (2026)

Structure-Based Experimental Datasets for Benchmarking Protein Simulation Force Fields
von: Cavender, Chapin E., et al.
Veröffentlicht: (2023)

Quantifying the Errors Introduced by Continuum Scattering Models on the Inferred Structural Properties of Proteins
von: Adhikari, Rohan S., et al.
Veröffentlicht: (2024)

Unveiling Long-Range Forces in Light Harvesting Proteins: Pivotal Roles of Temperature and Light
von: Perez-Martin, Elsa, et al.
Veröffentlicht: (2024)

P2DFlow: A Protein Ensemble Generative Model with SE(3) Flow Matching
von: Jin, Yaowei, et al.
Veröffentlicht: (2024)

A Scalable and Quantum-Accurate Foundation Model for Biomolecular Force Field via Linearly Tensorized Quadrangle Attention
von: Su, Qun, et al.
Veröffentlicht: (2025)

Dummy Atom Based Thermodynamic Integration Accurately Predicts Disulfide Redox Free Energies in Proteins
von: Mejia-Rodriguez, Daniel, et al.
Veröffentlicht: (2025)

Differentiable Rotamer Sampling with Molecular Force Fields
von: Sha, Congzhou M., et al.
Veröffentlicht: (2023)

Ribosomal Proteins as Exosomal Cargo: Random Passengers or Crucial Players in Carcinogenesis?
von: Dmitri Graifer, et al.
Veröffentlicht: (2025)

AI-based Methods for Simulating, Sampling, and Predicting Protein Ensembles
von: Jing, Bowen, et al.
Veröffentlicht: (2025)

Protein overabundance is driven by growth robustness
von: Choi, H. James, et al.
Veröffentlicht: (2024)

Direct Measurement of Inertial Impact and Propulsive Force in a Eukaryotic Swimmer
von: Shimabukuro, Katsuya, et al.
Veröffentlicht: (2025)

Amino Acids and Their Biological Derivatives Modulate Protein-Protein Interactions In an Additive Way
von: Xu, Xufeng, et al.
Veröffentlicht: (2024)

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

Finer-Focused Partial Wave Spectroscopy (ff-PWS) and Detection of Cancer Stages From Human Tissue Samples
von: Solanki, Dhruvil, et al.
Veröffentlicht: (2020)

Statistical Survey of Chemical and Geometric Patterns on Protein Surfaces as a Blueprint for Protein-mimicking Nanoparticles
von: McBride, John M., et al.
Veröffentlicht: (2024)

Unleashing Urease Protein Dynamics with Metamaterial Optical Tweezers
von: Kotsifaki, Domna G., et al.
Veröffentlicht: (2024)

Interaction Dynamics of Borrelia Surface Proteins with Fibronectin
von: Hewage, Kavindi Madduma, et al.
Veröffentlicht: (2025)

ProTDyn: a foundation Protein language model for Thermodynamics and Dynamics generation
von: Liu, Yikai, et al.
Veröffentlicht: (2025)

Forces and symmetry breaking of a living meso-swimmer
von: Lara, Rafael A., et al.
Veröffentlicht: (2025)

Sub-Diffraction Chromatin Domains: Architecture, Regulation, and Functional Roles in Nuclear Organization
von: Vinayak, Vinayak, et al.
Veröffentlicht: (2025)

Predicting Resistive Pulse Signatures in Nanopores by Accurately Modeling Access Regions
von: Charron, Martin, et al.
Veröffentlicht: (2024)

Systematic Analysis of Biomolecular Conformational Ensembles with PENSA
von: Vögele, Martin, et al.
Veröffentlicht: (2022)

Non Equilibrium Transitions in a Polymer Replication Ensemble
von: Genthon, Arthur, et al.
Veröffentlicht: (2024)

Multimodal Analysis of Traction Forces and Temperature Dynamics of Living Cells with Diamond-Embedded Substrate
von: Kołodziej, Tomasz, et al.
Veröffentlicht: (2024)

Role of tissue fluidization and topological defects in epithelial tubulogenesis
von: Ho, Richard D. J. G., et al.
Veröffentlicht: (2024)

Load-Aware Calibration of EMG-Driven Musculoskeletal Models for Accurate and Generalizable Joint Torque Estimation
von: Kumar, Rajnish, et al.
Veröffentlicht: (2025)

Orientation-Dependent Protein Binding at Nanoparticle Interfaces
von: Annapoorani, Vigneshwari Karunakaran, et al.
Veröffentlicht: (2026)

Radical Pair Mechanism and the Role of Chirality-Induced Spin Selectivity during Planaria Regeneration: Effect of Weak Magnetic Field on ROS levels
von: Tiwari, Yash, et al.
Veröffentlicht: (2024)

How does an embedded spheroid affect the rigidity of extracellular matrix?
von: Parker, Amanda, et al.
Veröffentlicht: (2025)

DNA Calorimetric Force Spectroscopy at Single Base Pair Resolution
von: Rissone, Paolo, et al.
Veröffentlicht: (2024)

Towards Fast, Specialized Machine Learning Force Fields: Distilling Foundation Models via Energy Hessians
von: Amin, Ishan, et al.
Veröffentlicht: (2025)

A Curated Rotamer Library for Common Post-Translational Modifications of Proteins
von: Zhang, Oufan, et al.
Veröffentlicht: (2024)

Phycobilisome core architecture influences photoprotective quenching by the Orange Carotenoid Protein
von: Ejaz, Ayesha, et al.
Veröffentlicht: (2024)

Active contacts create controllable friction
von: Shah, Rohan, et al.
Veröffentlicht: (2025)

Neutron Reflectometry Reveals Conformational Changes in a Mechanosensitive Protein Induced by an Antimicrobial Peptide in Tethered Lipid Bilayers
von: Ayscough, Sophie E., et al.
Veröffentlicht: (2025)

A Workflow to Create a High-Quality Protein-Ligand Binding Dataset for Training, Validation, and Prediction Tasks
von: Wang, Yingze, et al.
Veröffentlicht: (2024)

Real-Time, Label-free Electrical Transduction of Catalytic Events in a Single-Protein Redox Enzymatic Junction
von: Ha, Tracy Quynh, et al.
Veröffentlicht: (2025)

Impact of the RNA Binding Domain Localization of the Protein Shell on Virus Particle Stability
von: Safdari, Mohammadamin, et al.
Veröffentlicht: (2025)