Computational Biophysics with Python

Reactive Publishing

Bridge the gap between theoretical biophysics and computational execution.

Computational Biophysics with Python: An Introduction to Molecular Dynamics and Biomolecular Systems provides a clear, hands-on framework for analyzing biological systems at the atomic level. Designed for researchers, biophysicists, and advanced students, this text demystifies the complex mathematics, physics, and programming structures required to simulate and interpret macromolecular behavior.

Rather than relying purely on black-box software, this book teaches you how to write, modify, and deploy Python-based workflows to investigate the physical forces driving biological processes.

What You Will Learn:

• The Foundations of Molecular Dynamics: Understand the physical principles behind Newtonian integration, periodic boundary conditions, and thermodynamic ensembles.

• Force Field Mechanics: Deconstruct how bond potentials, electrostatic interactions, and Van der Waals forces are mathematically modeled and computed.

• Structural and Kinetic Analysis: Write Python scripts to calculate root-mean-square deviation (RMSD), radius of gyration, hydrogen bonding networks, and free energy landscapes.

• Practical Python Integration: Leverage powerful scientific libraries, including NumPy, MDAnalysis, and ProDy, to parse, manipulate, and visualize trajectory data.

Whether you are transitioning from wet-lab biology to dry-lab simulation, or you are a computational scientist looking to specialize in molecular biophysics, this book delivers the foundational theory and practical code necessary to accelerate your research.