C&EN

The Protein Data Bank (PDB), Its Related Services and Software Tools as Key Components for In Silico Guided Drug Discovery

Department of Pharmaceutical Chemistry, Faculty of Chemistry and Pharmacy and Center for Molecular Biosciences (CMBI), University of Innsbruck, Innrain 52, A-6020 Innsbruck, Austria, Inte:Ligand ...
GitHub

The Python Control Systems Library is a Python module that implements basic operations for analysis and design of feedback control systems.

Try out the examples in the examples folder using the binder service. The package can also be installed on Google Colab using the commands: The easiest way to get started with the Control Systems ...
GitHub

Neural Iterative Selection Expansion (NISE) using LASErMPNN/LigandMPNN with Boltz-1x/Boltz-2x

Introduced in the paper Zero-shot design of drug-binding proteins via neural selection-expansion! Check out our interactive Google Colab notebook to get acquainted with the protocol. Novel ...
ScienceCodons

PDB File Viewer

The ScienceCodons PDB Viewer is a high-performance tool for visualizing, analyzing, and exploring macromolecular structures directly in your web browser. It offers seamless support for PDB, mmCIF, and ...