ArticleJournal of chemical theory and computation2021
CHARMM-GUI Polymer Builder for Modeling and Simulation of Synthetic Polymers.
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 54 papers.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
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
54 citing papers in PubMed.
- Coarse-Grained Simulations of Polyrotaxane Hydrogels under Quiescent and Shear Conditions.Macromolecules · 2026Article
- Toward Material-Specific Peptides From in Silico Guided Peptide Engineering to Target PET in the Presence of PS.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2026Article
- Tutorial for Atomistic and Coarse-Grained Simulations of Membrane-Nanoplastic Interactions Using GROMACS.The journal of physical chemistry. B · 2026Article
- Molecular Dynamics Simulation and Characterization of GelMA/HA Composite Microneedles for Potential Growth Hormone Transdermal Delivery.Gels (Basel, Switzerland) · 2026Article
- Assessing the Martini Force Field for Modeling Polyolefin Nanoplastics near Lipid Membranes.The journal of physical chemistry. B · 2026Article
- MolPy: A Large Language Model-Friendly Toolkit for Reactive Topology Editing in Polymer Simulations.Journal of chemical information and modeling · 2026Article
- Storage Buffer Composition Impacts Internal Structure, Freeze-Thaw Stability, and Transfection Efficiency of mRNA-Lipid Nanoparticles.ACS nano · 2026Article
- Optimising Fully rPET-Sourced Aerogel Production Using a Sustainable Dissolution-Precipitation Approach.Gels (Basel, Switzerland) · 2026Article
- Molecular Insights into End-Group Cluster Formation in Natural Rubber Induced by l-Quebrachitol, a Major Component of Natural Rubber Serum Waste.Langmuir : the ACS journal of surfaces and colloids · 2026Article
- Effects of Orientational and Conformational Ordering on Isotactic Polypropylene Crystallization.Macromolecules · 2026Article
- The effect of ionic strength on PETase enzymes: An experimental and computational study.Protein science : a publication of the Protein Society · 2026Article
- Coarse-Grained Molecular Dynamics Simulations of Lipid Nanodroplets and Endosomal Membranes: Focusing on the Fusion Mechanisms.International journal of molecular sciences · 2025Article
- Article
- Atomistic Polymer Modeling: Recent Advances and Challenges in Building and Parametrization Workflows.Macromolecules · 2025Review
- LCI Engineering for Improved Polystyrene Binding: The Impact of Aromatic Amino Acid Substitutions.ACS omega · 2025Article
- Comparative analysis of search approaches to discover donor molecules for organic solar cells.Digital discovery · 2025Article
- Unraveling the role of MAG, PTEN, and NOTCH1 in axonal regeneration: a network analysis and molecular dynamics study of siRNA/drugs/nanocarriers interactions.Journal of translational medicine · 2025Article
- CHARMM-GUIJournal of chemical information and modeling · 2025Article
- PolyPal: A Python Package for Molecular Dynamics Simulation of Amorphous Polymers.Journal of chemical theory and computation · 2025Article
- Computational loop reconstruction based design of efficient PET hydrolases.Communications biology · 2025Article
Corrections and comments
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Authors and funding
7 authors.
Funding
Abstract
Molecular modeling and simulations are invaluable tools for polymer science and engineering, which predict physicochemical properties of polymers and provide molecular-level insight into the underlying mechanisms. However, building realistic polymer systems is challenging and requires considerable experience because of great variations in structures as well as length and time scales. This work describes
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.