NextGenPB

Welcome to the NextGenPB tutorial! This guide walks you through calculating electrostatic potentials from a biomolecular structure using the Poisson–Boltzmann equation.

Get started now NextGenPB GitHub

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Quick Introduction

NextGenPB is a modern, high-performance tool for solving the Poisson–Boltzmann equation (PBE), a fundamental equation in computational electrostatics.

This website contains two main sections to support your learning and use of NextGenPB:

• Tutorial: Step-by-step practical examples designed to help new users quickly run simulations and understand key features of NextGenPB.
• Guide: Comprehensive documentation covering installation, advanced features, developer notes, and detailed explanations of all settings.

Whether you’re a student just getting started or a researcher interested in bioelectrostatics, you’ll find practical steps and in-depth information here.

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➡️ Begin with the Guide
➡️ Or jump right into the Tutorial

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Citation

If you use NextGenPB in your research, please cite the following work:

Vincenzo Di Florio, Patrizio Ansalone, Sergii V. Siryk, Sergio Decherchi, Carlo de Falco, Walter Rocchia,
NextGenPB: An analytically-enabled super resolution tool for solving the Poisson-Boltzmann equation featuring local (de)refinement,
Computer Physics Communications, Volume 317, 2025, 109816,
ISSN 0010-4655, https://doi.org/10.1016/j.cpc.2025.109816

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