ReviewChemical reviews2016
An Empirical Polarizable Force Field Based on the Classical Drude Oscillator Model: Development History and Recent Applications.
Review in Chemical reviews, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 245 papers.
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Who cites it
245 citing papers in PubMed, 628 citations in OpenAlex.
- From GROMACS Molecular Dynamics Simulations to Electronic Absorption Spectra: A Tutorial for Small Molecules in Organic Solvents.Journal of chemical education · 2026Article
- Computer-Aided Drug Design for Type 2 Diabetes-Related Enzymes: Polarizable and Nonpolarizable Simulations of Enzyme-Inhibitor Complexes.Journal of chemical information and modeling · 2026Article
- Computer-Aided Drug Design for Type 2 Diabetes-Related Enzymes: SILCS-Based Fragment Mapping, Pharmacophore Modeling, and Virtual Screening.Journal of chemical information and modeling · 2026Article
- Parameterization of the CHARMM force field for divalent cations (Ca2+/Be2+) binding to anionic lipids with isothermal titration calorimetry.The Journal of chemical physics · 2026Article
- Accelerated OH Oxidation of Methyl Chloride via Surface Accumulation at the Air-Water Interface.ACS physical chemistry Au · 2026Article
- Drude SILCS-Nucleic: harnessing explicit electronic polarization in targeting RNA and DNA for drug design.Nucleic acids research · 2026Article
- Drude polarizable force field for phosphorylated polypeptides and proteins.Biophysical journal · 2026Article
- Impact of Linker Defects on the Dielectric Properties of the Metal-Organic Framework HKUST-1: Insights from Molecular Dynamics Simulations.ACS applied materials & interfaces · 2026Article
- Adsorption of Zwitterionic and Capped Amino Acids to Graphene: A Molecular Dynamics Study.ACS omega · 2026Article
- Bayesian Modeling of Polarizable Water: Lessons for Force Field Development.Journal of chemical theory and computation · 2026Article
- ABEEM/MM Magnesium Force Field for Proteins and Aqueous Solutions.Interdisciplinary sciences, computational life sciences · 2026Article
- Molecular dynamics study of water anomalies: a comparison of OPC3 and TIP4P/Journal of molecular modeling · 2026Article
- Conformation-Driven Bilayer Nanocarriers for Anthocyanins Using Shell Polysaccharides: Stabilization Mechanisms and Enhanced In Vitro Lipid-Lowering Activity.Molecules (Basel, Switzerland) · 2026Article
- Investigating the electrostatics underlying activation of the βBiochimica et biophysica acta. Biomembranes · 2026Article
- Vibrational contribution to the sub-terahertz dielectric response of kinesin and its hydration shell.Scientific reports · 2026Article
- Insights into the Electronic and Structural Properties of Cellulose and Amylose: A Comparative Force Field Study.The journal of physical chemistry. B · 2026Article
- Role of Water Models in Simulations of Ion Conduction in Potassium Channels.Journal of chemical theory and computation · 2026Article
- Force fields matter in DNA polProtein science : a publication of the Protein Society · 2026Article
- Computational Ligand-Binding Site Prediction.Advances in experimental medicine and biology · 2026Review
- Terahertz Modulation of Biomolecular Dynamics: Physical Mechanisms, Biological Implications, and Future Challenges.Research (Washington, D.C.) · 2026Review
185 more citing papers are in PubMed but not listed here.
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Authors and funding
4 authors at 2 institutions in 1 country.
Funding
Abstract
Molecular mechanics force fields that explicitly account for induced polarization represent the next generation of physical models for molecular dynamics simulations. Several methods exist for modeling induced polarization, and here we review the classical Drude oscillator model, in which electronic degrees of freedom are modeled by charged particles attached to the nuclei of their core atoms by harmonic springs. We describe the latest developments in Drude force field parametrization and application, primarily in the last 15 years. Emphasis is placed on the Drude-2013 polarizable force field for proteins, DNA, lipids, and carbohydrates. We discuss its parametrization protocol, development history, and recent simulations of biologically interesting systems, highlighting specific studies in which induced polarization plays a critical role in reproducing experimental observables and understanding physical behavior. As the Drude oscillator model is computationally tractable and available in a wide range of simulation packages, it is anticipated that use of these more complex physical models will lead to new and important discoveries of the physical forces driving a range of chemical and biological phenomena.
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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.