💻 Software & Environment Setup
Drug Discovery & Pharmaceutical Sciences
The computational toolchain and environment used throughout Pharmacophore Modeling and Molecular Docking: Bridging the Gap Between Structure and Function.
Pharmacophore modeling molecular docking coursePharmacophore modeling molecular docking online trainingBest pharmacophore modeling molecular docking certificationPharmacophore modeling molecular docking for researchersPharmacophore modeling molecular docking hands-on workshopLearn pharmacophore modeling molecular docking
# Recommended conda environmentconda create -n dstc_env python=3.11 -yconda activate dstc_envpip install rdkit-pypi openmm mdanalysis prodyAutoDock Vina
Molecular docking & virtual screening
Molecular docking & virtual screening
GROMACS
Molecular-dynamics simulation
Molecular-dynamics simulation
RDKit
Cheminformatics & descriptor calculation
Cheminformatics & descriptor calculation
PyMOL
Structure visualisation & figures
Structure visualisation & figures
Supported OS: Linux (Ubuntu 22.04+), macOS, or Windows via WSL2.
Hardware: 16 GB RAM minimum; a CUDA GPU helps for deep-learning modules.
Earn government-registered certification in Pharmacophore Modeling and Molecular Docking: Bridging the Gap Between Structure and Function
e-Certificate and e-Marksheet issued on successful completion.
