ArticleAnnual review of biophysics2021
Biomolecular Modeling and Simulation: A Prospering Multidisciplinary Field.
Article in Annual review of biophysics, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 39 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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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
39 citing papers in PubMed.
- Dynamical-nonequilibrium alanine scanning for identifying allosteric positions in proteins.Biophysical journal · 2026Article
- Stepping Up Enhanced Rate Calculations with EATR-Flooding.Journal of chemical theory and computation · 2026Article
- Loop dynamics govern MALT1 activation revealed by integrative AlphaFold, MD, and NMR analysis.Scientific reports · 2026Article
- Past, present, and future of virtual reality-based biological science education (2010-2025): a BERTopic-driven analysis.BMC medical education · 2026Article
- Learning data-efficient coarse-grained molecular dynamics from forces and noise.Nature communications · 2026Article
- Tutorial on quantifying and sampling biomolecular ensembles with ShapeGMM.The Journal of chemical physics · 2025Article
- Insight into Malt1 activation mechanism through synergetic approach of AlphaFold, MD Simulation and NMR dynamic analyses.bioRxiv : the preprint server for biology · 2025Article
- Clustering and Analyzing Ensembles of Residue Interaction Networks from Molecular Dynamics Simulations.Journal of chemical information and modeling · 2025Article
- Accurate Protein Dynamic Conformational Ensembles: Combining AlphaFold, MD, and AmideInternational journal of molecular sciences · 2025Article
- Review
- Using Deep Graph Neural Networks Improves Physics-Based Hydration Free Energy Predictions Even for Molecules Outside of the Training Set Distribution.The journal of physical chemistry. B · 2025Article
- Quantum bioelectrochemical (QBIOL) software based on point stochastic processes.Communications chemistry · 2025Article
- Improved Data-Driven Collective Variables for Biased Sampling through Iteration on Biased Data.The journal of physical chemistry. B · 2025Article
- Article
- A Hybrid Bottom-Up and Data-Driven Machine Learning Approach for Accurate Coarse-Graining of Large Molecular Complexes.Journal of chemical theory and computation · 2025Article
- Phase Space Invaders' podcast episode with Tamar Schlick: a trajectory from mathematics to biology.Biophysical reviews · 2025Article
- Use of AI-methods over MD simulations in the sampling of conformational ensembles in IDPs.Frontiers in molecular biosciences · 2025Review
- MDTAP: a tool to analyze permeation events across membrane proteins.Bioinformatics advances · 2025Article
- In Silico Validation of AI-Assisted Drugs in Healthcare.Methods in molecular biology (Clifton, N.J.) · 2025Article
- Integrating computational methods andHeliyon · 2024Article
Corrections and comments
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Authors and funding
16 authors.
Funding
Abstract
We reassess progress in the field of biomolecular modeling and simulation, following up on our perspective published in 2011. By reviewing metrics for the field's productivity and providing examples of success, we underscore the productive phase of the field, whose short-term expectations were overestimated and long-term effects underestimated. Such successes include prediction of structures and mechanisms; generation of new insights into biomolecular activity; and thriving collaborations between modeling and experimentation, including experiments driven by modeling. We also discuss the impact of field exercises and web games on the field's progress. Overall, we note tremendous success by the biomolecular modeling community in utilization of computer power; improvement in force fields; and development and application of new algorithms, notably machine learning and artificial intelligence. The combined advances are enhancing the accuracy andscope of modeling and simulation, establishing an exemplary discipline where experiment and theory or simulations are full partners.
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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.