Desmond
High-performance molecular dynamics within the Schrödinger ecosystem.
Desmond blue identityDesmond & YASARA MD Training
One selective training page covering essential protein, protein–ligand, and solvent molecular dynamics workflows, followed by the most important post-simulation analyses needed for scientific interpretation.
YASARA Dynamics
Integrated molecular modeling, visualization, preparation, and simulation environment.
YASARA gold identitySelective Simulation Training
The page intentionally keeps only three essential simulation pathways so learners can focus on practical system setup, production, and interpretation.
Important Post-Simulation Analyses
A concise analysis collection covering structural stability, residue flexibility, compactness, solvent exposure, protein–ligand interactions, essential dynamics, conformational clustering, hydrogen bonds, free-energy landscapes, and DSSP.
Two Platforms, One Scientific Outcome
Desmond and YASARA use different interfaces and ecosystems, but the training remains focused on reproducible setup, stable simulation, quality control, and defensible interpretation.
Desmond-Focused Learning
For learners working in the Schrödinger environment and using a highly integrated graphical workflow.
- System Builder and preparation workflow
- Protein and complex MD setup
- Trajectory inspection and interaction analysis
- Research-oriented interpretation
YASARA-Focused Learning
For learners who want modeling, visualization, preparation, simulation, and scripting in a unified environment.
- Protein and ligand preparation
- Macro-assisted simulation workflows
- Solvent and biomolecular systems
- Visualization and analysis export
Choose Desmond, YASARA, or a combined learning pathway
Training can be delivered through one-to-one private mentorship or a structured cohort with selective practical assignments and research-oriented guidance.