NANO-D - 2013 - Annual activity report

NANO-D

NANO-D - 2013

Team Nano-d

Members

Overall Objectives

Overview
Research axes

Application Domains

Overview
Structural Biology
Pharmaceutics and Drug Design
Nano-engineering

Software and Platforms

SAMSON

New Results

Adaptively Restrained Particle Simulations for Isobaric-Isothermal Ensemble
Interactive large-scale deformations of molecular structures
Towards parallel adaptive molecular simulations
Protein secondary structure prediction for dynamic simulations
Motion Planning for Quasi-Static Simulation
Molecular Modeling
Software Engineering

Partnerships and Cooperations

Regional Initiatives
National Initiatives
European Initiatives
International Initiatives
International Research Visitors

Dissemination

Teaching - Supervision - Juries
Participation to conferences, seminars
Popularization

Bibliography

Publications of the year
References in notes

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2013 Team Activity Report

NANO-D

Algorithms for Modeling and Simulation of Nanosystems

Research centre: Grenoble - Rhône-Alpes

In partnership with: CNRS, Institut polytechnique de Grenoble, Université Joseph Fourier (Grenoble)

In collaboration with: Laboratoire Jean Kuntzmann (LJK)

Field: Applied Mathematics, Computation and Simulation

Theme: Numerical schemes and simulations

Keywords: Modeling, Simulation, Nanosystems, Adaptive Algorithm, Knowledge-based Algorithms