NANO-D - 2018 - Annual activity report

NANO-D

NANO-D - 2018

Project-Team Nano-d

Team, Visitors, External Collaborators

Overall Objectives

Research Program

Highlights of the Year

New Software and Platforms

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 Si $_{x}$ Ge $_{y}$ C $_{z}$ Sn $_{1 - x - y - z}$ 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

Dissemination

Bibliography

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Section: New Software and Platforms

SAMSON

Software for Adaptive Modeling and Simulation Of Nanosystems

Keywords: Bioinformatics - Simulation - Nanosystems - Structural Biology - Chemistry

Scientific Description: Please refer to https://www.samson-connect.net

Functional Description: SAMSON is a software platform for real-time modelling and simulation of natural or artificial nanosystems. The objective is to make SAMSON a generic application for computer-aided design of nanosystems, similar to existing applications for macrosystem prototyping (CATIA, SolidWorks, etc.).

Contact: Stéphane Redon
URL: http://nano-d.inrialpes.fr/software/

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