Python GMX Automatic Ligand Parameterization tutorial
Published in WorkflowHub • Jan 1, 2025
NobleIDNI2P73W01R22S86
Authors:,
Adam Hospital
Genís Bayarri
Abstract
# Automatic Ligand parameterization tutorial using BioExcel Building Blocks (biobb) *** This tutorial aims to illustrate the process of **ligand parameterization** for a **small molecule**, step by step, using the **BioExcel Building Blocks library (biobb)**. The particular example used is the **Sul...
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