# BioSim CZ vocabulary: MD Sampling Strategy
#
# High-level sampling strategies for MD Studies aligned with MOLSIM where a
# suitable ontology class exists.
# MOLSIM parent classes include MOLSIM_000308 (simulation method),
# MOLSIM_000843 (molecular dynamics), and MOLSIM_000845 (enhanced sampling).

# molsim: MOLSIM_000843
- id: conventional_md
  title:
    en: Conventional Molecular Dynamics

# molsim: MOLSIM_000845
- id: enhanced_sampling
  title:
    en: Enhanced Sampling

# molsim: MOLSIM_000210
- id: umbrella_sampling
  title:
    en: Umbrella Sampling

# molsim: MOLSIM_000858
- id: replica_exchange
  title:
    en: Replica-Exchange Molecular Dynamics

# molsim: MOLSIM_000852
- id: metadynamics
  title:
    en: Metadynamics

# molsim: MOLSIM_000859
- id: steered_dynamics
  title:
    en: Steered Dynamics

# molsim: MOLSIM_000395
- id: accelerated_md
  title:
    en: Accelerated Molecular Dynamics

# molsim: MOLSIM_000212
- id: free_energy_calculation
  title:
    en: Free-Energy Calculation

- id: other
  title:
    en: Other
  help:
    en: Sampling strategy not listed above.