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-ARAP-Planner

Keywords: 3D - Algorithm - Nanosystems - Bioinformatics - Structural Biology - Chemistry

Functional Description: ARAP planner combines the ARAP method from computer graphics with T-RRT exploration method from robotics for efficiently finding low-energy paths in high-dimensional energy landscapes.

Authors: Leonard Jaillet and Minh Khoa Nguyen
Partner: Inria
Contact: Stéphane Redon
URL: http://samson-connect.net

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