Development and current status of the CHARMM force field for nucleic acids
Related Experiment Video
Updated: Oct 3, 2026

Realistic Membrane Modeling Using Complex Lipid Mixtures in Simulation Studies
Published on: September 1, 2023
A D MacKerell1, N Banavali, N Foloppe
1Department of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, 20 N. Pine Street, Baltimore, MD 21201, USA. alex@outerbanks.umaryland.edu
Abstract:
The CHARMM27 all-atom force field for nucleic acids represents a highly optimized model for investigations of nucleic acids via empirical force field calculations. The force field satisfactorily treats the A, B, and Z forms of DNA as well as RNA, and it also useful for nucleosides and nucleotides. In addition, it is compatible with the CHARMM force fields for proteins and lipids, allowing for simulation studies of heterogeneous systems.
Related Concept Videos
Force and Potential Energy in One Dimension
Nucleic Acid Structure
DNA Structure
DNA has a double-helix structure. The...
Forces Acting on Chromosomes
Microtubules and motor proteins exert two types of forces on...
Forces Acting on Chromosomes
Microtubules and motor proteins exert two types of forces on...
Crystal Field Theory - Octahedral Complexes
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
Intermolecular Forces

