ArticleJournal of chemical theory and computation2021
Long-Time-Scale Predictions from Short-Trajectory Data: A Benchmark Analysis of the Trp-Cage Miniprotein.
Article in Journal of chemical theory and computation, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 18 papers.
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Who cites it
18 citing papers in PubMed.
- DreamFold: A World Model to efficiently generate protein folding pathways in the latent space.Protein science : a publication of the Protein Society · 2026Article
- A continuous-space analytical framework for committor functions from molecular dynamics.The Journal of chemical physics · 2026Article
- Adaptive Tensor Train Metadynamics for High-Dimensional Free Energy Exploration.Journal of chemical theory and computation · 2026Article
- An Exact Multiple-Time-Step Variational Formulation for the Committor and the Transition Rate.The journal of physical chemistry. B · 2026Article
- Using pretrained graph neural networks with token mixers as geometric featurizers for conformational dynamics.The Journal of chemical physics · 2025Article
- Article
- Analysis of the Dynamics of a Complex, Multipathway Reaction: Insulin Dimer Dissociation.The journal of physical chemistry. B · 2024Article
- Temperature-dependent fold-switching mechanism of the circadian clock protein KaiB.Proceedings of the National Academy of Sciences of the United States of America · 2024Article
- BAD-NEUS: Rapidly converging trajectory stratification.The Journal of chemical physics · 2024Article
- Accurate estimates of dynamical statistics using memory.The Journal of chemical physics · 2024Article
- Dynamics of activation in the voltage-sensing domain of Ciona intestinalis phosphatase Ci-VSP.Nature communications · 2024Article
- Effect of Main and Side Chains on the Folding Mechanism of the Trp-Cage Miniprotein.ACS omega · 2023Article
- Predicting rare events using neural networks and short-trajectory data.Journal of computational physics · 2023Article
- Inexact iterative numerical linear algebra for neural network-based spectral estimation and rare-event prediction.The Journal of chemical physics · 2023Article
- Committor-Consistent Variational String Method.The journal of physical chemistry letters · 2022Article
- Augmented transition path theory for sequences of events.The Journal of chemical physics · 2022Article
- Computing transition path theory quantities with trajectory stratification.The Journal of chemical physics · 2022Article
- Kinetics of Phenol Escape from the Insulin RThe journal of physical chemistry. B · 2021Article
Corrections and comments
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Authors and funding
6 authors.
Funding
Abstract
Elucidating physical mechanisms with statistical confidence from molecular dynamics simulations can be challenging owing to the many degrees of freedom that contribute to collective motions. To address this issue, we recently introduced a dynamical Galerkin approximation (DGA) [Thiede, E. H.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.