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Section: New Software and Platforms
SAMSON-HEX
Keyword: Algorithm
Functional Description: Sampling and Docking using the Hex algorithm developed by Dave Ritchie in SAMSON. Docking solutions can be easily displayed and clustered.
Overall Objectives
Research Program
New Software and Platforms
- SAMSON
- DockTrina
- HermiteFit
- Knodle
- RigidRMSD
- SAMSON-Drug-design
- DeepSymmetry
- SAMSON-ARAP-Planner
- SAMSON-Hydrocarbons
- SAMSON-RDKit
- SAMSON-GROMACS
- SAMSON-Essentials
- Samson-base
- SAMSON-Connect
- SAMSON-Updater
- SAMSON-Various-tools
- SAMSON-Crystal-Study-Pack
- SAMSON-Materials
- SAMSON-Planner-Tools
- SAMSON-HEX
- SAMSON-UFF
- SAMSON-Normal-modes
- SAMSON-SAXS
- Ananas
- Pepsi-SAXS
- NOLB
- SBROD
- Ornate
- SAMSON-AR-LAMMPS
New Results
- Generating conformational transition paths with low potential-energy barriers for proteins
- ART-RRT: As-Rigid-As-Possible Exploration of Ligand Unbinding Pathways
- Atomistic modelling and simulation of transmission electron microscopy images: application to intrinsic defects of graphene
- Impact of hydrogen on graphene-based materials: atomistic modeling and simulation of HRSTEM images.
- Atomistic modelling of diamond-type SiGeCSn crystals for realistic transmission electron microscopy image simulations
- Analytical symmetry detection method AnAnaS
- Deep Learning for Symmetry detection
- New method for protein model quality assessment Ornate
Partnerships and Cooperations
Bibliography
Overall Objectives
Research Program
New Software and Platforms
- SAMSON
- DockTrina
- HermiteFit
- Knodle
- RigidRMSD
- SAMSON-Drug-design
- DeepSymmetry
- SAMSON-ARAP-Planner
- SAMSON-Hydrocarbons
- SAMSON-RDKit
- SAMSON-GROMACS
- SAMSON-Essentials
- Samson-base
- SAMSON-Connect
- SAMSON-Updater
- SAMSON-Various-tools
- SAMSON-Crystal-Study-Pack
- SAMSON-Materials
- SAMSON-Planner-Tools
- SAMSON-HEX
- SAMSON-UFF
- SAMSON-Normal-modes
- SAMSON-SAXS
- Ananas
- Pepsi-SAXS
- NOLB
- SBROD
- Ornate
- SAMSON-AR-LAMMPS
New Results
- Generating conformational transition paths with low potential-energy barriers for proteins
- ART-RRT: As-Rigid-As-Possible Exploration of Ligand Unbinding Pathways
- Atomistic modelling and simulation of transmission electron microscopy images: application to intrinsic defects of graphene
- Impact of hydrogen on graphene-based materials: atomistic modeling and simulation of HRSTEM images.
- Atomistic modelling of diamond-type SiGeCSn crystals for realistic transmission electron microscopy image simulations
- Analytical symmetry detection method AnAnaS
- Deep Learning for Symmetry detection
- New method for protein model quality assessment Ornate
Partnerships and Cooperations
Bibliography