Saved in:
| Main Authors: | Vouzina, Olympia-Dialekti, Tafanidis, Alexandros, Glykos, Nicholas M. |
|---|---|
| Format: | Preprint |
| Published: |
2024
|
| Subjects: | |
| Online Access: | https://arxiv.org/abs/2404.01405 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Quantifying the uncertainty of molecular dynamics simulations : Good-Turing statistics revisited
by: Tsampazi, Vasiliki, et al.
Published: (2026)
by: Tsampazi, Vasiliki, et al.
Published: (2026)
Atomic Density Distributions in Proteins: Structural and Functional Implications
by: Touliopoulos, Sotirios, et al.
Published: (2025)
by: Touliopoulos, Sotirios, et al.
Published: (2025)
Predicting protein folding dynamics using sequence information
by: Galpern, Ezequiel A., et al.
Published: (2025)
by: Galpern, Ezequiel A., et al.
Published: (2025)
Solvation enhances folding cooperativity and the topology dependence of folding rates in a lattice protein model
by: Nguyen, Nhung T. T., et al.
Published: (2025)
by: Nguyen, Nhung T. T., et al.
Published: (2025)
Inferring protein folding mechanisms from natural sequence diversity
by: Galpern, Ezequiel A., et al.
Published: (2024)
by: Galpern, Ezequiel A., et al.
Published: (2024)
Unavailability of experimental 3D structural data on protein folding dynamics and necessity for a new generation of structure prediction methods in this context
by: Wells, Aydin, et al.
Published: (2025)
by: Wells, Aydin, et al.
Published: (2025)
A review of topological data analysis and topological deep learning in molecular sciences
by: Wee, JunJie, et al.
Published: (2025)
by: Wee, JunJie, et al.
Published: (2025)
Fold-switching proteins push the boundaries of conformational ensemble prediction
by: Lee, Myeongsang, et al.
Published: (2026)
by: Lee, Myeongsang, et al.
Published: (2026)
The role of topology on protein thermal stability
by: Especial, João N. C., et al.
Published: (2025)
by: Especial, João N. C., et al.
Published: (2025)
Proteins with alternative folds reveal blind spots in AlphaFold-based protein structure prediction
by: Chakravarty, Devlina, et al.
Published: (2024)
by: Chakravarty, Devlina, et al.
Published: (2024)
Predicting mutational effects on protein binding from folding energy
by: Deng, Arthur, et al.
Published: (2025)
by: Deng, Arthur, et al.
Published: (2025)
Towards protein folding pathways by reconstructing protein residue networks with a policy-driven model
by: Khor, Susan
Published: (2026)
by: Khor, Susan
Published: (2026)
The effect of stereochemical constraints on the structural properties of folded proteins
by: Logan, Jack A., et al.
Published: (2025)
by: Logan, Jack A., et al.
Published: (2025)
All-atom inverse protein folding through discrete flow matching
by: Yi, Kai, et al.
Published: (2025)
by: Yi, Kai, et al.
Published: (2025)
Mask prior-guided denoising diffusion improves inverse protein folding
by: Bai, Peizhen, et al.
Published: (2024)
by: Bai, Peizhen, et al.
Published: (2024)
Selection originating from protein stability/foldability: Relationships between protein folding free energy, sequence ensemble, and fitness
by: Miyazawa, Sanzo
Published: (2016)
by: Miyazawa, Sanzo
Published: (2016)
CAML: Commutative algebra machine learning -- a case study on protein-ligand binding affinity prediction
by: Feng, Hongsong, et al.
Published: (2025)
by: Feng, Hongsong, et al.
Published: (2025)
A unified framework for coarse grained molecular dynamics of proteins with high-fidelity reconstruction
by: Zhu, Jinzhen
Published: (2024)
by: Zhu, Jinzhen
Published: (2024)
Fold-switching Proteins
by: Chakravarty, Devlina, et al.
Published: (2025)
by: Chakravarty, Devlina, et al.
Published: (2025)
Factors controlling protein evolvability, at the molecular scale
by: Vila, Jorge A.
Published: (2025)
by: Vila, Jorge A.
Published: (2025)
From sequence to protein structure and conformational dynamics with AI/ML
by: Ille, Alexander M., et al.
Published: (2025)
by: Ille, Alexander M., et al.
Published: (2025)
Physical principles underpinning molecular-level protein evolution
by: Vila, J. A.
Published: (2024)
by: Vila, J. A.
Published: (2024)
TopoQA: a topological deep learning-based approach for protein complex structure interface quality assessment
by: Han, Bingqing, et al.
Published: (2024)
by: Han, Bingqing, et al.
Published: (2024)
Sequence-based protein-protein interaction prediction and its applications in drug discovery
by: Charih, François, et al.
Published: (2025)
by: Charih, François, et al.
Published: (2025)
ProtSCAPE: Mapping the landscape of protein conformations in molecular dynamics
by: Viswanath, Siddharth, et al.
Published: (2024)
by: Viswanath, Siddharth, et al.
Published: (2024)
Zero-shot protein stability prediction by inverse folding models: a free energy interpretation
by: Frellsen, Jes, et al.
Published: (2025)
by: Frellsen, Jes, et al.
Published: (2025)
Nonequilibrium protein complexes as molecular automata
by: Kocka, Jan, et al.
Published: (2025)
by: Kocka, Jan, et al.
Published: (2025)
Machine learning methods to study sequence-ensemble-function relationships in disordered proteins
by: von Bülow, Sören, et al.
Published: (2024)
by: von Bülow, Sören, et al.
Published: (2024)
Applied causality to infer protein dynamics and kinetics
by: Aranganathan, Akashnathan, et al.
Published: (2025)
by: Aranganathan, Akashnathan, et al.
Published: (2025)
Predicting the binding of small molecules to proteins through invariant representation of the molecular structure
by: Beccaria, R., et al.
Published: (2024)
by: Beccaria, R., et al.
Published: (2024)
Representation choice shapes the interpretation of protein conformational dynamics
by: Giottonini, Axel, et al.
Published: (2026)
by: Giottonini, Axel, et al.
Published: (2026)
Learning residue level protein dynamics with multiscale Gaussians
by: Bafna, Mihir, et al.
Published: (2025)
by: Bafna, Mihir, et al.
Published: (2025)
Assessment of scoring functions for computational models of protein-protein interfaces
by: Sumner, Jacob, et al.
Published: (2024)
by: Sumner, Jacob, et al.
Published: (2024)
A universal phase-plane model for in vivo protein aggregation
by: Cotton, Matthew W., et al.
Published: (2025)
by: Cotton, Matthew W., et al.
Published: (2025)
Evaluation of In vitro anti-inflammatory activity and Insilico pharmacokinetics and molecular docking study of Horsfieldia iryaghedhi
by: HKK, Rajapaksha, et al.
Published: (2024)
by: HKK, Rajapaksha, et al.
Published: (2024)
The onset of molecule-spanning dynamics in a multi-domain protein
by: Sohmen, Benedikt, et al.
Published: (2021)
by: Sohmen, Benedikt, et al.
Published: (2021)
Learning to engineer protein flexibility
by: Kouba, Petr, et al.
Published: (2024)
by: Kouba, Petr, et al.
Published: (2024)
De novo design of protein binders targeting the human sweet taste receptor as potential sweet proteins
by: Ding, Saisai, et al.
Published: (2026)
by: Ding, Saisai, et al.
Published: (2026)
The standard coil or globule phases cannot describe the denatured state of structured proteins and intrinsically disordered proteins
by: Righini, F., et al.
Published: (2025)
by: Righini, F., et al.
Published: (2025)
Computational design of intrinsically disordered proteins
by: Tesei, Giulio, et al.
Published: (2025)
by: Tesei, Giulio, et al.
Published: (2025)
Similar Items
-
Quantifying the uncertainty of molecular dynamics simulations : Good-Turing statistics revisited
by: Tsampazi, Vasiliki, et al.
Published: (2026) -
Atomic Density Distributions in Proteins: Structural and Functional Implications
by: Touliopoulos, Sotirios, et al.
Published: (2025) -
Predicting protein folding dynamics using sequence information
by: Galpern, Ezequiel A., et al.
Published: (2025) -
Solvation enhances folding cooperativity and the topology dependence of folding rates in a lattice protein model
by: Nguyen, Nhung T. T., et al.
Published: (2025) -
Inferring protein folding mechanisms from natural sequence diversity
by: Galpern, Ezequiel A., et al.
Published: (2024)