📹 Material Studio – Structure Optimization

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About This Lecture

Lecture Information

Published: December 13, 2025

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Molecular Modeling

Material Studio
Discovery Studio
Gaussian
Molecular Operating Environment

Molecular Dynamics

GROMACS
LAMMPS

Docking & Design

AutoDock
ChemDraw

Visualization

Chimera
PyMol
VMD

Data Analysis

Origin
GraphPad Prism

Online Tools

ADME-TOX (TEST)
Quantum Espresso
JSmol
Octopus
Raspa
CP2K
Zeo++