Overall Objectives
Application Domains
New Software and Platforms
New Results
- Variance Analysis of ARPS-Langevin dynamics
- Parallel adaptively restrained particle simulations
- Molecular Modeling
- Flexible molecular fitting
- PEPSI-Dock : Fast predictions of putative docking poses using accurate knowledge-based potentials functions to describe interaction between proteins
- Extended Universal Force Field
- Incremental Algorithms for Orbital-Free Density Functional Theory
- Robotics-inspired methods for large nanosystems
- Incremental algorithms for long-range interactions
- Software development of SAMSON
Partnerships and Cooperations
Bibliography
Overall Objectives
Application Domains
New Software and Platforms
New Results
- Variance Analysis of ARPS-Langevin dynamics
- Parallel adaptively restrained particle simulations
- Molecular Modeling
- Flexible molecular fitting
- PEPSI-Dock : Fast predictions of putative docking poses using accurate knowledge-based potentials functions to describe interaction between proteins
- Extended Universal Force Field
- Incremental Algorithms for Orbital-Free Density Functional Theory
- Robotics-inspired methods for large nanosystems
- Incremental algorithms for long-range interactions
- Software development of SAMSON
Partnerships and Cooperations
Bibliography
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