ArticleWiley interdisciplinary reviews. Computational molecular science2012
Recent Developments and Applications of the CHARMM force fields.
Article in Wiley interdisciplinary reviews. Computational molecular science, 2012. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 91 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.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
91 citing papers in PubMed.
- Interaction mechanisms of MXene with bacterial division proteins: towards efficient antibacterial materials.Journal of molecular modeling · 2026Article
- Physical and Mechanobiological Basis of Biological Functions of Platelets.Thrombosis and haemostasis · 2026Review
- Guidelines for Comparing Circular Dichroism Spectroscopy and Molecular Dynamics Simulations for Biomolecules.Chemphyschem : a European journal of chemical physics and physical chemistry · 2026Article
- From Membrane Composition to Antimicrobial Strategies: Experimental and Computational Approaches to AMP Design and Selectivity.Small (Weinheim an der Bergstrasse, Germany) · 2026Review
- Article
- Coarse-grained RNA model for the Martini 3 force field.Biophysical journal · 2026Article
- Nanoengineered aqueous-hydrotrope hybrid liquid electrolyte solutions for efficient zinc batteries across a wide temperature range.Nature nanotechnology · 2026Article
- Exploring the Impact of Curcumin and Carbon Nanotubes on Beta-amyloid Peptide Dimer: Insights from Molecular Dynamics Simulation and Density Functional Theory Methods.Current pharmaceutical biotechnology · 2026Article
- Unveiling the Interplay between Dopamine-like Molecules and β-Amyloid Peptide: A Combined Molecular Dynamic and DFT Approach.Combinatorial chemistry & high throughput screening · 2026Article
- In Silico Analysis of CMolecules (Basel, Switzerland) · 2025Article
- Charge Neutralization During Peptide Transport in the Bacterial SecYEG Translocon.Biomolecules · 2025Article
- Article
- Molecular Simulations with a Pretrained Neural Network and Universal Pairwise Force Fields.Journal of the American Chemical Society · 2025Article
- α-Glucosidase Inhibitors from the Leaves ofJournal of agricultural and food chemistry · 2025Article
- Structure-Based Experimental Datasets for Benchmarking Protein Simulation Force Fields [Article v1.0].Living journal of computational molecular science · 2025Article
- Computational Methods for Modeling Lipid-Mediated Active Pharmaceutical Ingredient Delivery.Molecular pharmaceutics · 2025Review
- Novel metal sites revealed by spectroscopic and structural characterization of the ferric uptake regulator fromComputational and structural biotechnology journal · 2025Article
- Theophylline as a quorum sensing and biofilm inhibitor in Pseudomonas aeruginosa and Chromobacterium violaceum.International microbiology : the official journal of the Spanish Society for Microbiology · 2024Article
- Inducing molecular orientation in solution-processed thin films of fluorene-bithiophene-based copolymer: thermal annealingRSC advances · 2024Article
- Iodine-PEG as a unique combination for the metal-free synthesis of flavonoids through iodonium-triiodide ion-pair complexation.RSC advances · 2024Article
31 more citing papers are in PubMed but not listed here.
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.
Funding
Abstract
Empirical force fields commonly used to describe the condensed phase properties of complex systems such as biological macromolecules are continuously being updated. Improvements in quantum mechanical (QM) methods used to generate target data, availability of new experimental target data, incorporation of new classes of compounds and new theoretical developments (eg. polarizable methods) make force-field development a dynamic domain of research. Accordingly, a number of improvements and extensions of the CHARMM force fields have occurred over the years. The objective of the present review is to provide an up-to-date overview of the CHARMM force fields. A limited presentation on the historical aspects of force fields will be given, including underlying methodologies and principles, along with a brief description of the strategies used for parameter development. This is followed by information on the CHARMM additive and polarizable force fields, including examples of recent applications of those force fields.
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.