NANO-D - 2018 - Annual activity report

EN FR

EN FR

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

previous

Home | Next next

next

Section: New Software and Platforms

NOLB

NOn-Linear rigid Block NMA method

Keywords: Structural Biology - Bioinformatics - Elasticity - Proteins - Motion analysis

Functional Description: It's a new conceptually simple and computationally efficient method for non-linear normal mode analysis of macromolecules.

Participants: Sergey Grudinin and Alexandre Hoffmann
Contact: Sergey Grudinin
Publications: NOLB: Nonlinear Rigid Block Normal Mode Analysis Method - RapidRMSD: Rapid determination of RMSDs corresponding to motions of flexible molecules
URL: https://team.inria.fr/nano-d/software/nolb-normal-modes/

previous

Home | Next next

next