NMMD: Efficient cryo-EM flexible fitting based on simultaneous Normal Mode and Molecular Dynamics atomic displacements R Vuillemot, O Miyashita, F Tama, I Rouiller, S Jonic Journal of Molecular Biology 434 (7), 167483, 2022 | 39 | 2022 |
MDSPACE: Extracting continuous conformational landscapes from Cryo-EM single particle datasets using 3D-to-2D flexible fitting based on molecular dynamics simulation R Vuillemot, A Mirzaei, M Harastani, I Hamitouche, L Fréchin, BP Klaholz, ... Journal of Molecular Biology 435 (9), 167951, 2023 | 26 | 2023 |
ContinuousFlex: Software package for analyzing continuous conformational variability of macromolecules in cryo electron microscopy and tomography data M Harastani, R Vuillemot, I Hamitouche, NB Moghadam, S Jonic Journal of Structural Biology 214 (4), 107906, 2022 | 16 | 2022 |
In silico prediction, characterization, docking studies and molecular dynamics simulation of human p97 in complex with p37 cofactor A Mirzadeh, G Kobakhidze, R Vuillemot, S Jonic, I Rouiller BMC Molecular and Cell Biology 23 (1), 39, 2022 | 14 | 2022 |
MDTOMO method for continuous conformational variability analysis in cryo electron subtomograms based on molecular dynamics simulations R Vuillemot, I Rouiller, S Jonić Scientific Reports 13 (1), 10596, 2023 | 11 | 2023 |
Scipion Flexibility Hub: an integrative framework for advanced analysis of conformational heterogeneity in cryoEM D Herreros, JM Krieger, Y Fonseca, P Conesa, M Harastani, R Vuillemot, ... Acta Crystallographica Section D: Structural Biology 79 (7), 2023 | 5 | 2023 |
Combined bayesian and normal mode flexible fitting with hamiltonian monte carlo sampling for cryo electron microscopy R Vuillemot, S Jonić 2021 29th European Signal Processing Conference (EUSIPCO), 1211-1215, 2021 | 5 | 2021 |
Structure and conformational variability of the HER2-trastuzumab-pertuzumab complex R Ruedas, R Vuillemot, T Tubiana, JM Winter, L Pieri, AA Arteni, ... Journal of Structural Biology 216 (2), 108095, 2024 | 3 | 2024 |
AFMfit: Deciphering conformational dynamics in AFM data using fast nonlinear NMA and FFT-based search R Vuillemot, JL Pellequer, S Grudinin bioRxiv, 2024.06. 03.597083, 2024 | 1 | 2024 |
MDTOMO: Continuous conformational variability analysis in cryo electron subtomogram data using flexible fitting based on Molecular Dynamics simulations R Vuillemot, I Rouiller, S Jonić bioRxiv, 2023.02. 25.529934, 2023 | 1 | 2023 |
Analysis of the Conformational Landscape of the N-Domains of the AAA ATPase p97: Disentangling the Continuous Conformational Variability in Partially Symmetrical Complexes S Valimehr, R Vuillemot, M Kazemi, S Jonic, I Rouiller International Journal of Molecular Sciences 25 (6), 3371, 2024 | | 2024 |
MDSPACE and MDTOMO Software for Extracting Continuous Conformational Landscapes from Datasets of Single Particle Images and Subtomograms Based on Molecular Dynamics Simulations … R Vuillemot, M Harastani, I Hamitouche, S Jonic International Journal of Molecular Sciences 25 (1), 20, 2023 | | 2023 |
Molecular dynamics simulation based image analysis methods for structural studies of biological macromolecular complexesolecular complexes R Vuillemot Sorbonne Université, 2023 | | 2023 |
Synthetic dataset used for validating MDSPACE method for analyzing continuous conformational variability of biomolecules in cryo-EM single particle images R Vuillemot, S Jonic (No Title), 2022 | | 2022 |
scipion-em-continuousflex 3.4. 2 M Harastani, R Vuillemot, I Hamitouche, S Jonic | | |