Design Example: Traverse Angle Computations
Design Example: Setting a Curve Using Design Data
Protein and Protein Structure
Structural Protein Function
Structural Protein Function
Protein and Protein Structures
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Updated: Jan 24, 2026

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
Published on: June 20, 2025
Jaume Bonet1,2, Zander Harteveld1,2, Fabian Sesterhenn1,2
1Institute of Bioengineering, École Polytechnique Fédérale de Lausanne, CH-1015, Lausanne, Switzerland.
The rstoolbox is a Python library designed to analyze large protein structure datasets for computational protein design (CPD). It aids in selecting protein sequences for experimental validation and improves the reproducibility of CPD strategies.
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