Journal of chemical information and modelingStatic ElectricityModelsMolecular
Accurate and Scalable Continuum Electrostatics for Large Biomolecular Systems: The pyDelPhi Poisson-Boltzmann Framework.
Shailesh Kumar Panday, Shan Zhao, Emil Alexov
Published: 202610.1021/acs.jcim.5c02818
Abstract
Electrostatic interactions are central to biomolecular structure, recognition, and assembly, making their efficient and accurate evaluation essential for biophysics, drug discovery, and materials modeling. The Poisson-Boltzmann equation (PBE) provide…
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