g_elpot: A Tool for Quantifying Biomolecular Electrostatics from Molecular Dynamics Trajectories
Andrei Yu. Kostritskii, Claudia Alleva, Saskia Cönen, Jan‐Philipp Machtens
Abstract
, and DNA complexed with cationic polymers. Our results indicate that g_elpot is well suited for quantifying electrostatics in biomolecular systems to provide a deeper understanding of its role in biomolecular processes.
Topics & Concepts
ElectrostaticsBiomoleculeMolecular dynamicsStatic electricityMolecular biophysicsNanotechnologyBiomolecular structureChemistryChemical physicsBiological systemProtein structurePhysicsMaterials scienceComputational chemistryBiologyPhysical chemistryQuantum mechanicsBiochemistryProtein Structure and DynamicsDNA and Nucleic Acid ChemistryRNA and protein synthesis mechanisms