Saved in:
| Main Authors: | Zhilkin, Alexander, Medaparambath, Muralika, Mendels, Dan |
|---|---|
| Format: | Preprint |
| Published: |
2026
|
| Subjects: | |
| Online Access: | https://arxiv.org/abs/2602.19936 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Collective Variable-Guided Engineering of the Free-Energy Surface of a Small Peptide
by: Medaparambath, Muralika, et al.
Published: (2026)
by: Medaparambath, Muralika, et al.
Published: (2026)
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)
General Quantum Alchemical Free Energy Simulations via Hamiltonian Interpolation
by: Li, Chenghan, et al.
Published: (2024)
by: Li, Chenghan, et al.
Published: (2024)
Universal Loop Statistics from Active Extrusion with Kinetic Barriers
by: Chervinskaya, A., et al.
Published: (2026)
by: Chervinskaya, A., et al.
Published: (2026)
Advanced simulations with PLUMED: OPES and Machine Learning Collective Variables
by: Trizio, Enrico, et al.
Published: (2024)
by: Trizio, Enrico, et al.
Published: (2024)
TICA-Based Free Energy Matching for Machine-Learned Molecular Dynamics
by: Aghili, Alexander, et al.
Published: (2025)
by: Aghili, Alexander, et al.
Published: (2025)
Peptide Classification from Statistical Analysis of Nanopore Translocation Experiments
by: Hoßbach, Julian, et al.
Published: (2024)
by: Hoßbach, Julian, et al.
Published: (2024)
Dummy Atom Based Thermodynamic Integration Accurately Predicts Disulfide Redox Free Energies in Proteins
by: Mejia-Rodriguez, Daniel, et al.
Published: (2025)
by: Mejia-Rodriguez, Daniel, et al.
Published: (2025)
Kinetics of Mycoprotein Production from Alternative Carbon Substrates
by: Banks, Mason, et al.
Published: (2026)
by: Banks, Mason, et al.
Published: (2026)
Low-Dimensional Interaction Spaces Impose Geometric Constraints On Collective Organization
by: Tozzi, Arturo
Published: (2026)
by: Tozzi, Arturo
Published: (2026)
Predictive Free Energy Simulations Through Hierarchical Distillation of Quantum Hamiltonians
by: Li, Chenghan, et al.
Published: (2025)
by: Li, Chenghan, et al.
Published: (2025)
Self-Organized Bioelectricity via Collective Pump Alignment: Toward a Physical Origin of Chemiosmosis
by: Nishide, Ryosuke, et al.
Published: (2026)
by: Nishide, Ryosuke, et al.
Published: (2026)
Interface-Driven Peptide Folding: Quantum Computations on Simulated Membrane Surfaces
by: Conde-Torres, Daniel, et al.
Published: (2024)
by: Conde-Torres, Daniel, et al.
Published: (2024)
Kinetics-Optimized Enhanced Sampling Using Mean First Passage Times
by: Wei, Tiejun, et al.
Published: (2024)
by: Wei, Tiejun, et al.
Published: (2024)
Optimal Discretization in Hour-Glass Molecular Clocks Driven by Oscillating Free Energy
by: Zhen, Zhuangcheng, et al.
Published: (2026)
by: Zhen, Zhuangcheng, et al.
Published: (2026)
IR Spectroscopic Studies of Gas-Phase Peptides
by: Andersson, Åke, et al.
Published: (2025)
by: Andersson, Åke, et al.
Published: (2025)
Neutron Reflectometry Reveals Conformational Changes in a Mechanosensitive Protein Induced by an Antimicrobial Peptide in Tethered Lipid Bilayers
by: Ayscough, Sophie E., et al.
Published: (2025)
by: Ayscough, Sophie E., et al.
Published: (2025)
Emergent Workload Inequality in Collective Excavation
by: Treers, Laura K., et al.
Published: (2026)
by: Treers, Laura K., et al.
Published: (2026)
Chesapeake Bay Food Web: Robustness Analysis via Energy Cutoff in Complex Networks
by: Souza, Eduardo M. K., et al.
Published: (2026)
by: Souza, Eduardo M. K., et al.
Published: (2026)
Harnessing the Peripheral Surface Information Entropy from Globular Protein-Peptide Complexes
by: Grear, Tyler, et al.
Published: (2026)
by: Grear, Tyler, et al.
Published: (2026)
Volume-Scaled Common Nearest Neighbor Clustering Algorithm with Free-Energy Hierarchy
by: Weiß, R. Gregor, et al.
Published: (2020)
by: Weiß, R. Gregor, et al.
Published: (2020)
Temperature Compensation through Kinetic Regulation in Biochemical Oscillators
by: Fu, Haochen, et al.
Published: (2024)
by: Fu, Haochen, et al.
Published: (2024)
Kinetic theory of emulsions with matter supply
by: Janssen, Jacqueline, et al.
Published: (2025)
by: Janssen, Jacqueline, et al.
Published: (2025)
Time-Asymmetric Fluctuation Theorem and Efficient Free Energy Estimation
by: Zhong, Adrianne, et al.
Published: (2023)
by: Zhong, Adrianne, et al.
Published: (2023)
Enabling Structure-Only Initialization and Out-of-Distribution Generalization in GNN-based Molecular Dynamics Simulators
by: Shteingolts, S. A., et al.
Published: (2026)
by: Shteingolts, S. A., et al.
Published: (2026)
Machine Learning Enhanced Calculation of Quantum-Classical Binding Free Energies
by: Bensberg, Moritz, et al.
Published: (2025)
by: Bensberg, Moritz, et al.
Published: (2025)
Kinetically arrested clusters in active filament arrays
by: Karayat, Sonu, et al.
Published: (2024)
by: Karayat, Sonu, et al.
Published: (2024)
Mechanics, Energetics, Entropy and Kinetics of a Binary Mechanical Model System
by: Baker, Josh E.
Published: (2022)
by: Baker, Josh E.
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)
Emergence of Superintelligence from Collective Near-Critical Dynamics in Reentrant Neural Fields
by: Chae, Byung Gyu
Published: (2026)
by: Chae, Byung Gyu
Published: (2026)
Deterministic Path Search Algorithm on Free-Energy Landscape using Random Grids
by: Nagai, Tetsuro, et al.
Published: (2024)
by: Nagai, Tetsuro, et al.
Published: (2024)
Enhanced Diffusion Sampling: Efficient Rare Event Sampling and Free Energy Calculation with Diffusion Models
by: Xie, Yu, et al.
Published: (2026)
by: Xie, Yu, et al.
Published: (2026)
Active Liquid Crystal Theory Explains the Collective Organization of Microtubules in Human Mitotic Spindles
by: Kelleher, Colm P., et al.
Published: (2025)
by: Kelleher, Colm P., et al.
Published: (2025)
Single-molecule Automata: Harnessing Kinetic-Thermodynamic Discrepancy for Temporal Pattern Recognition
by: Zhang, Zhongmin, et al.
Published: (2024)
by: Zhang, Zhongmin, et al.
Published: (2024)
Size-Dependent Fluorescence Kinetics Reveal Contributions of Intrinsic Quenching and Singlet-Triplet Annihilation during LHCII Aggregation
by: Conradie, Francois, et al.
Published: (2026)
by: Conradie, Francois, et al.
Published: (2026)
Kinetics of segregation of topologically-modified ring polymers in cylindrical confinement
by: Doshi, Harsh, et al.
Published: (2026)
by: Doshi, Harsh, et al.
Published: (2026)
Magnetic Nanoparticles as Label-Free Dual-Function Nanoheaters and Nanothermometers
by: Venegas-Gomez, Alejandro, et al.
Published: (2026)
by: Venegas-Gomez, Alejandro, et al.
Published: (2026)
Site-Selective Dynamics of Ligand-Free and Ligand-Bound Azidolysozyme
by: Salehi, Seyedeh Maryam, et al.
Published: (2021)
by: Salehi, Seyedeh Maryam, et al.
Published: (2021)
Efficient Microcanonical Histogram Analysis and Application to Peptide Aggregation
by: Bachmann, Michael
Published: (2025)
by: Bachmann, Michael
Published: (2025)
Modeling Diffusion and Permeation Across the Stratum Corneum Lipid Barrier
by: Thomas, Rinto, et al.
Published: (2025)
by: Thomas, Rinto, et al.
Published: (2025)
Similar Items
-
Collective Variable-Guided Engineering of the Free-Energy Surface of a Small Peptide
by: Medaparambath, Muralika, et al.
Published: (2026) -
Breaking the Timescale Barrier: Generative Discovery of Conformational Free-Energy Landscapes and Transition Pathways
by: Tang, Chenyu, et al.
Published: (2025) -
General Quantum Alchemical Free Energy Simulations via Hamiltonian Interpolation
by: Li, Chenghan, et al.
Published: (2024) -
Universal Loop Statistics from Active Extrusion with Kinetic Barriers
by: Chervinskaya, A., et al.
Published: (2026) -
Advanced simulations with PLUMED: OPES and Machine Learning Collective Variables
by: Trizio, Enrico, et al.
Published: (2024)