ArticleJournal of physics. Conference series2018
Challenges and opportunities in connecting simulations with experiments via molecular dynamics of cellular environments.
Article in Journal of physics. Conference series, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 15 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.
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Who cites it
15 citing papers in PubMed.
- Building multiscale Markov state models by systematic mapping of temporal communities.Bioinformatics (Oxford, England) · 2026Article
- A Study on the Robustness and Stability of Explainable Deep Learning in an Imbalanced Setting: The Exploration of the Conformational Space of G Protein-Coupled Receptors.International journal of molecular sciences · 2024Article
- Computational Models of Claudin Assembly in Tight Junctions and Strand Properties.International journal of molecular sciences · 2024Review
- Structural remodeling of SARS-CoV-2 spike protein glycans reveals the regulatory roles in receptor-binding affinity.Glycobiology · 2023Article
- Diffusion of small molecule drugs is affected by surface interactions and crowder proteins.iScience · 2022Article
- Applications of Molecular Dynamics Simulation in Protein Study.Membranes · 2022Review
- Translocating Peptides of Biomedical Interest Obtained from the Spike (S) Glycoprotein of the SARS-CoV-2.Membranes · 2022Article
- Deciphering the Effect of Lysine Acetylation on the Misfolding and Aggregation of Human Tau FragmentInternational journal of molecular sciences · 2022Article
- ProLint: a web-based framework for the automated data analysis and visualization of lipid-protein interactions.Nucleic acids research · 2021Article
- Molecular function recognition by supervised projection pursuit machine learning.Scientific reports · 2021Article
- A Computational Model of Protein Induced Membrane Morphology with Geodesic Curvature Driven Protein-Membrane Interface.Journal of computational physics · 2020Article
- Design, Screening, and Testing of Non-Rational Peptide Libraries with Antimicrobial Activity: In Silico and Experimental Approaches.Antibiotics (Basel, Switzerland) · 2020Review
- Whole-Cell Models and Simulations in Molecular Detail.Annual review of cell and developmental biology · 2019Review
- An Overview of Molecular Modeling for Drug Discovery with Specific Illustrative Examples of Applications.Molecules (Basel, Switzerland) · 2019Review
- Large-Scale Conformational Changes and Protein Function: Breaking theFrontiers in molecular biosciences · 2019Review
Corrections and comments
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Authors and funding
5 authors.
Funding
Abstract
Computer simulations are widely used to study molecular systems, especially in biology. As simulations have greatly increased in scale reaching cellular levels there are now significant challenges in managing, analyzing, and interpreting such data in comparison with experiments that are being discussed. Management challenges revolve around storing and sharing terabyte to petabyte scale data sets whereas the analysis of simulations of highly complex systems will increasingly require automated machine learning and artificial intelligence approaches. The comparison between simulations and experiments is furthermore complicated not just by the complexity of the data but also by difficulties in interpreting experiments for highly heterogeneous systems. As an example, the interpretation of NMR relaxation measurements and comparison with simulations for highly crowded systems is discussed.
Identifiers
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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.