ArticleThe Journal of chemical physics2016
Perspective: Computer simulations of long time dynamics.
Article in The Journal of chemical physics, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 19 papers.
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Who cites it
19 citing papers in PubMed.
- Investigation into the effect of phenylalanine gating on anaerobic haem breakdown using the energy landscape approach.Protein science : a publication of the Protein Society · 2025Article
- Milestoning estimators of dissipation in systems observed at a coarse resolution.Proceedings of the National Academy of Sciences of the United States of America · 2024Article
- Perspectives on Computational Enzyme Modeling: From Mechanisms to Design and Drug Development.ACS omega · 2024Review
- Examination of Solvent Interactions with Trp-Cage in 1,1,1,3,3,3-Hexafluoro-2-propanol-water at 298 K through MD Simulations and Intermolecular Nuclear Overhauser Effects.The journal of physical chemistry. B · 2023Article
- Life in silico: Are we close yet?Proceedings of the National Academy of Sciences of the United States of America · 2021Article
- Molecular latent space simulators.Chemical science · 2020Article
- Mechanistic insights into the deleterious roles of Nasu-Hakola disease associated TREM2 variants.Scientific reports · 2020Article
- Flexibility and intrinsic disorder are conserved features of hepatitis C virus E2 glycoprotein.PLoS computational biology · 2020Article
- Article
- Polarizable Force Fields for Biomolecular Simulations: Recent Advances and Applications.Annual review of biophysics · 2019Review
- A Hybrid Hamiltonian for the Accelerated Sampling along Experimental Restraints.International journal of molecular sciences · 2019Article
- Applications of Molecular Dynamics Simulation in Structure Prediction of Peptides and Proteins.Computational and structural biotechnology journal · 2019Review
- Enriched Conformational Sampling of DNA and Proteins with a Hybrid Hamiltonian Derived from the Protein Data Bank.International journal of molecular sciences · 2018Article
- Protein Conformational Transitions from All-Atom Adaptively Biased Path Optimization.Journal of chemical theory and computation · 2018Article
- Computational insights of K1444N substitution in GAP-related domain of NF1 gene associated with neurofibromatosis type 1 disease: a molecular modeling and dynamics approach.Metabolic brain disease · 2018Article
- Single-Molecule Test for Markovianity of the Dynamics along a Reaction Coordinate.The journal of physical chemistry letters · 2018Article
- Finding multiple reaction pathways via global optimization of action.Nature communications · 2017Article
- Theoretical and computational validation of the Kuhn barrier friction mechanism in unfolded proteins.Scientific reports · 2017Article
- The allosteric switching mechanism in bacteriophage MS2.The Journal of chemical physics · 2016Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
1 author.
Funding
Abstract
Atomically detailed computer simulations of complex molecular events attracted the imagination of many researchers in the field as providing comprehensive information on chemical, biological, and physical processes. However, one of the greatest limitations of these simulations is of time scales. The physical time scales accessible to straightforward simulations are too short to address many interesting and important molecular events. In the last decade significant advances were made in different directions (theory, software, and hardware) that significantly expand the capabilities and accuracies of these techniques. This perspective describes and critically examines some of these advances.
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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.