| RapidDock: Unlocking Proteome-scale Molecular Docking | Oct 16, 2024 | Drug DiscoveryGPU | —Unverified | 0 | 0 |
| Rare-Event Sampling of Epigenetic Landscapes and Phenotype Transitions | Dec 29, 2017 | Protein Folding | —Unverified | 0 | 0 |
| Recursive Decomposition for Nonconvex Optimization | Nov 8, 2016 | Combinatorial Optimizationgraph partitioning | —Unverified | 0 | 0 |
| Rethinking the protein folding problem from a new perspective | Oct 10, 2022 | Protein Folding | —Unverified | 0 | 0 |
| RoMA: a Method for Neural Network Robustness Measurement and Assessment | Oct 21, 2021 | Protein Folding | —Unverified | 0 | 0 |
| ScaleFold: Reducing AlphaFold Initial Training Time to 10 Hours | Apr 17, 2024 | Protein Folding | —Unverified | 0 | 0 |
| Selection originating from protein stability/foldability: Relationships between protein folding free energy, sequence ensemble, and fitness | Dec 30, 2016 | Protein Folding | —Unverified | 0 | 0 |
| Selectivity of Protein Interactions Stimulated by Terahertz Signals | Jul 4, 2022 | Protein Folding | —Unverified | 0 | 0 |
| Self-folding Self-replication | Aug 13, 2024 | Protein Folding | —Unverified | 0 | 0 |
| SGNet: Folding Symmetrical Protein Complex with Deep Learning | Mar 7, 2024 | Deep LearningProtein Folding | —Unverified | 0 | 0 |
| Sign Gradient Descent Algorithms for Kinetostatic Protein Folding | Aug 14, 2023 | Protein Folding | —Unverified | 0 | 0 |
| Simultaneous Modeling of Protein Conformation and Dynamics via Autoregression | May 23, 2025 | Protein Folding | —Unverified | 0 | 0 |
| Solvent Effects in the Helix-Coil Transition Model can explain the Unusual Biophysics of Intrinsically Disordered Proteins | Jul 14, 2015 | Protein FoldingSpecificity | —Unverified | 0 | 0 |
| Solving the HP model with Nested Monte Carlo Search | Jan 23, 2023 | Protein Folding | —Unverified | 0 | 0 |
| Spectral Map for Slow Collective Variables, Markovian Dynamics, and Transition State Ensembles | Sep 10, 2024 | Protein Folding | —Unverified | 0 | 0 |
| Structural Learning for Template-free Protein Folding | Nov 6, 2013 | Protein Folding | —Unverified | 0 | 0 |
| Structure-based prediction of protein-folding transition paths | Jul 27, 2016 | PredictionProtein Folding | —Unverified | 0 | 0 |
| Terahertz Induced Protein Interactions in a Random Medium | Oct 23, 2023 | Protein Folding | —Unverified | 0 | 0 |
| The finite size effects and the two-state paradigm of protein folding | Oct 26, 2020 | Protein Folding | —Unverified | 0 | 0 |
| The impact of hydrodynamic interactions on protein folding rates depends on temperature | Dec 12, 2017 | FrictionProtein Folding | —Unverified | 0 | 0 |
| The known unknowns of the Hsp90 chaperone | Aug 31, 2023 | Drug DesignKnown Unknowns | —Unverified | 0 | 0 |
| The Origin of Mutational Epistasis | Apr 5, 2024 | Protein Folding | —Unverified | 0 | 0 |
| Thermodynamics of Protein Folding | Jul 5, 2023 | Protein FoldingProtein Structure Prediction | —Unverified | 0 | 0 |
| The role of hydrophobic interactions in folding of β-sheets | Sep 16, 2020 | Protein Folding | —Unverified | 0 | 0 |
| The short-cut network within protein residue networks | Aug 12, 2015 | Protein Folding | —Unverified | 0 | 0 |
| Two for One: Diffusion Models and Force Fields for Coarse-Grained Molecular Dynamics | Feb 1, 2023 | Protein Folding | —Unverified | 0 | 0 |
| Two-phase protein folding optimization on a three-dimensional AB off-lattice model | Mar 4, 2019 | Protein Folding | —Unverified | 0 | 0 |
| Understanding the Capabilities of Large Language Models for Automated Planning | May 25, 2023 | Protein Folding | —Unverified | 0 | 0 |
| Unsupervised and Supervised Structure Learning for Protein Contact Prediction | Aug 31, 2020 | DiversityPrediction | —Unverified | 0 | 0 |
| Using Residual Dipolar Couplings from Two Alignment Media to Detect Structural Homology | Nov 6, 2019 | Protein Folding | —Unverified | 0 | 0 |
| Validation of an LLM-based Multi-Agent Framework for Protein Engineering in Dry Lab and Wet Lab | Nov 9, 2024 | Protein DesignProtein Folding | —Unverified | 0 | 0 |
| Variational embedding of protein folding simulations using gaussian mixture variational autoencoders | Aug 27, 2021 | Dimensionality ReductionProtein Folding | —Unverified | 0 | 0 |
| Variational Quantum Algorithms for Chemical Simulation and Drug Discovery | Nov 15, 2022 | Drug DiscoveryProtein Folding | —Unverified | 0 | 0 |
| A 23 MW data centre is all you need | Mar 31, 2022 | AllBoard Games | —Unverified | 0 | 0 |
| Weighted persistent homology for osmolyte molecular aggregation and hydrogen-bonding network analysis | Jul 14, 2019 | Protein Folding | —Unverified | 0 | 0 |
| AbODE: Ab Initio Antibody Design using Conjoined ODEs | May 31, 2023 | Graph MatchingProtein Folding | —Unverified | 0 | 0 |
| Accelerated Sampling of Rare Events using a Neural Network Bias Potential | Jan 13, 2024 | Protein Folding | —Unverified | 0 | 0 |
| Coupling streaming AI and HPC ensembles to achieve 100-1000x faster biomolecular simulations | Apr 10, 2021 | Protein Folding | —Unverified | 0 | 0 |
| Adaptive Markov State Model estimation using short reseeding trajectories | Dec 12, 2019 | Protein Folding | —Unverified | 0 | 0 |
| A glass-box interactive machine learning approach for solving NP-hard problems with the human-in-the-loop | Aug 3, 2017 | Protein FoldingTraveling Salesman Problem | —Unverified | 0 | 0 |
| A maximum-caliber approach to predicting perturbed folding kinetics due to mutations | May 25, 2016 | Protein Folding | —Unverified | 0 | 0 |
| A method for partitioning the information contained in a protein sequence between its structure and function | May 23, 2018 | Protein Folding | —Unverified | 0 | 0 |
| Analysis and prediction of protein folding energy changes upon mutation by element specific persistent homology | Mar 31, 2017 | Protein Folding | —Unverified | 0 | 0 |
| Analysis of proteins in the light of mutations | Oct 24, 2023 | Protein Folding | —Unverified | 0 | 0 |
| Analyzing the Performance of Graph Neural Networks with Pipe Parallelism | Dec 20, 2020 | BIG-bench Machine LearningDeep Learning | —Unverified | 0 | 0 |
| An Evaluation of Real-time Adaptive Sampling Change Point Detection Algorithm using KCUSUM | Feb 15, 2024 | Change DetectionChange Point Detection | —Unverified | 0 | 0 |
| A Novel P-bit-based Probabilistic Computing Approach for Solving the 3-D Protein Folding Problem | Feb 27, 2025 | Protein Folding | —Unverified | 0 | 0 |
| A Tale of Two Desolvation Potentials: An Investigation of Protein Behavior Under High Hydrostatic Pressure | Nov 15, 2019 | Protein Folding | —Unverified | 0 | 0 |
| A topological study of protein folding kinetics | Sep 28, 2019 | Protein Folding | —Unverified | 0 | 0 |
| Bloch spin waves and emergent structure in protein folding with HIV envelope glycoprotein as an example | Nov 23, 2015 | Protein Folding | —Unverified | 0 | 0 |