Python Classical Molecular Interaction Potentials
Published in WorkflowHub • Jan 1, 2025
NobleIDNI0P99W79R01S51
Authors:,
Adam Hospital
Genís Bayarri
Abstract
# CMIP tutorial using BioExcel Building Blocks (biobb) *** This tutorial aims to illustrate the process of computing **classical molecular interaction potentials** from **protein structures**, step by step, using the **BioExcel Building Blocks library (biobb)**. Examples shown are **Molecular Intera...
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