ArticleWiley interdisciplinary reviews. Computational molecular science
Accelerating physical simulations of proteins by leveraging external knowledge.
Article in Wiley interdisciplinary reviews. Computational molecular science. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 8 papers.
What it found
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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.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
8 citing papers in PubMed, 16 citations in OpenAlex.
- Accelerating Protein Folding Molecular Dynamics Using Inter-Residue Distances from Machine Learning Servers.Journal of chemical theory and computation · 2022Article
- MELD-accelerated molecular dynamics help determine amyloid fibril structures.Communications biology · 2021Article
- Computing Ligands Bound to Proteins Using MELD-Accelerated MD.Journal of chemical theory and computation · 2020Article
- Liquid network connectivity regulates the stability and composition of biomolecular condensates with many components.Proceedings of the National Academy of Sciences of the United States of America · 2020Article
- Enhancing fragment-based protein structure prediction by customising fragment cardinality according to local secondary structure.BMC bioinformatics · 2020Article
- Predicting Protein Dimer Structures Using MELD × MD.Journal of chemical theory and computation · 2019Article
- How Effectively Can Adaptive Sampling Methods Capture Spontaneous Ligand Binding?Journal of chemical theory and computation · 2019Article
- Applications of Molecular Dynamics Simulation in Structure Prediction of Peptides and Proteins.Computational and structural biotechnology journal · 2019Review
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
3 authors at 1 institution in 1 country.
Funding
Abstract
It is challenging to compute structure-function relationships of proteins using molecular physics. The problem arises from the exponential scaling of the computational searching and sampling of large conformational spaces. This scaling challenge is not met by today's methods, such as Monte Carlo, simulated annealing, genetic algorithms, or molecular dynamics (MD) or its variants such as replica exchange. Such methods of searching for optimal states on complex probabalistic landscapes are referred to more broadly as
Identifiers
What OpenQuestion holds
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.