Model biomolecules and predict binding with computational tools.
Drug Discovery & Pharmaceutical Sciences
The computational toolchain and environment used throughout Insilico Macromolecular Modeling & Docking.
# Recommended conda environmentconda create -n dstc_env python=3.11 -yconda activate dstc_envpip install rdkit-pypi openmm mdanalysis prodye-Certificate and e-Marksheet issued on successful completion.