Ligne de temps

Max Bonomi
Responsable de Structure
08 sept. 2023
publication

Genotype and Phenotype Characterization of Rhinolophus sp. Sarbecoviruses from Vietnam: Implications for Coronavirus Emergence.

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24 mai 2023
publication

Virus Pop—Expanding Viral Databases by Protein Sequence Simulation

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05 avr. 2023
publication

SARS‐CoV‐2‐related bat virus behavior in human‐relevant models sheds light on the origin of COVID‐19

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30 mai 2022
publication

Determination of the structure and dynamics of the fuzzy coat of an amyloid fibril of IAPP using cryo-electron microscopy

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20 mai 2022
tool

HARIBOSS

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20 mai 2022
publication

HARIBOSS: a curated database of RNA-small molecules structures to aid rational drug design

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03 mai 2022
publication

Describing Inhibitor Specificity for the Amino Acid Transporter LAT1 from Metainference Simulations

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21 avr. 2022
publication

Artificial Intelligence: Exploring the conformational diversity of proteins

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14 avr. 2022
publication

Bat coronaviruses related to SARS-CoV-2 and infectious for human cells.

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16 févr. 2022
publication

Discovery of bat coronaviruses close to SARS-CoV-2 and infectious for human cells.

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10 sept. 2021
publication

Rational design of ASCT2 inhibitors using an integrated experimental-computational approach

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08 sept. 2021
publication

Multi-replica biased sampling for photoisomerization processes in conjugated polymers

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03 mars 2021
project

Targeting RNA structure and dynamics with small molecules

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03 mars 2021
project

Integrative modelling of protein structure and dynamics with cryo-EM

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03 févr. 2021
team

Biologie Structurale Computationnelle

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08 oct. 2020
publication

Small molecule sequestration of amyloid-β as a drug discovery strategy for Alzheimer’s disease

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04 févr. 2020
publication

What will computational modelling approaches have to say in the era of atomistic cryo-EM data?

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03 juil. 2019
tool

PLUMED-NEST

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01 juil. 2019
publication

Promoting transparency and reproducibility in enhanced molecular simulations

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01 juil. 2019
publication

Biomolecular Simulations: Methods and Protocols

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01 juin 2019
publication

Determination of protein structural ensembles using cryo-electron microscopy

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09 mai 2019
publication

Effects of α-tubulin acetylation on microtubule structure and stability

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01 févr. 2019
event

Determining the structure and dynamics of biological systems using integrative approaches

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24 janv. 2019
publication

A practical guide to the simultaneous determination of protein structure and dynamics using metainference

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10 janv. 2019
event

CECAM school: Open source software for enhanced-sampling simulations

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01 janv. 2019
publication

A Solid-State NMR and MD Study of the Structure of the Statherin Mutant SNa15 on Mineral Surfaces

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01 janv. 2019
publication

Bayesian Weighing of Electron Cryo-Microscopy Data for Integrative Structural Modeling

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23 nov. 2018
software

PLUMED

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14 nov. 2018
publication

Determination of Structural Ensembles of Proteins: Restraining vs Reweighting

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02 nov. 2018
publication

A Versatile Computational Strategy To Characterize the Free-Energy Landscape of Excited States in Oligofluorenes

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06 sept. 2018
publication

Biasing Smarter, Not Harder, by Partitioning Collective Variables into Families in Parallel Bias Metadynamics

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25 juin 2018
publication

Reversible inhibition of the ClpP protease via an N-terminal conformational switch

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10 avr. 2018
publication

Simultaneous Determination of Protein Structure and Dynamics Using Cryo-Electron Microscopy

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26 mars 2018
publication

Structural Ensemble Modulation upon Small-Molecule Binding to Disordered Proteins

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01 janv. 2018
publication

Integrative structure modeling with the Integrative Modeling Platform

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15 déc. 2017
publication

Integrative structural and dynamical biology with PLUMED-ISDB

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31 oct. 2017
software

Integrative Modelling Platform

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16 août 2017
publication

The molecular architecture of the yeast spindle pole body core determined by Bayesian integrative modeling

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22 juil. 2017
publication

Sequence Specificity in the Entropy-Driven Binding of a Small Molecule and a Disordered Peptide

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22 mars 2017
publication

Simultaneous quantification of protein order and disorder

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05 janv. 2017
publication

Principles of protein structural ensemble determination

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26 août 2016
publication

Metadynamic metainference: Enhanced sampling of the metainference ensemble using metadynamics

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11 mars 2016
publication

Free energy landscapes of sodium ions bound to DMPC-cholesterol membrane surfaces at infinite dilution

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22 janv. 2016
publication

Metainference: A Bayesian inference method for heterogeneous systems

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12 nov. 2015
publication

The molecular architecture of the Dam1 kinetochore complex is defined by cross-linking based structural modelling

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09 oct. 2015
publication

Efficient Sampling of High-Dimensional Free-Energy Landscapes with Parallel Bias Metadynamics

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07 oct. 2015
publication

Ligand Discovery for the Alanine-Serine-Cysteine Transporter (ASCT2, SLC1A5) from Homology Modeling and Virtual Screening

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26 août 2015
publication

Specific Ion Binding at Phospholipid Membrane Surfaces

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20 août 2015
publication

Structural Model of the Bilitranslocase Transmembrane Domain Supported by NMR and FRET Data

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01 janv. 2015
publication

Tackling sampling challenges in biomolecular simulations

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01 janv. 2015
publication

Accuracy of current all-atom force-fields in modeling protein disordered states

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19 août 2014
publication

Determining protein complex structures based on a Bayesian model of in vivo Förster resonance energy transfer (FRET) data

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31 juil. 2014
publication

Cys-scanning disulfide crosslinking and bayesian modeling probe the transmembrane signaling mechanism of the histidine kinase, PhoQ

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12 avr. 2014
publication

Elucidating the mechanism of substrate recognition by the bacterial Hsp90 molecular chaperone

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06 févr. 2014
publication

The free energy profile of tubulin straight-bent conformational changes, with implications for microtubule assembly and drug discovery

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01 janv. 2014
publication

PLUMED 2: New feathers for an old bird

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01 janv. 2014
publication

Modeling of proteins and their assemblies with the Integrative Modeling Platform

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18 nov. 2013
publication

Free-energy landscape of protein oligomerization from atomistic simulations

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19 mai 2013
publication

Structural basis for alternating access of a eukaryotic calcium/proton exchanger

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03 avr. 2013
publication

Funnel metadynamics as accurate binding free-energy method

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31 mars 2013
publication

Crystal structure of a eukaryotic phosphate transporter

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29 août 2012
publication

High selectivity of the γ-aminobutyric acid transporter 2 (GAT-2, SLC6A13) revealed by structure-based approach

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20 juin 2012
publication

Efficient Simulation of Explicitly Solvated Proteins in the Well-Tempered Ensemble

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08 juin 2011
publication

A chirality-based metrics for free-energy calculations in biomolecular systems

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19 mai 2011
publication

Assessing the Quality of the OPEP Coarse-Grained Force Field

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01 janv. 2011
publication

Metadynamics

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13 oct. 2010
publication

Multiple routes and milestones in the folding of HIV-1 protease monomer

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19 mai 2010
publication

Linking well-tempered metadynamics simulations with experiments

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09 mars 2010
publication

Molecular basis of cyclooxygenase enzymes (COXs) selective inhibition

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01 janv. 2010
publication

Enhanced sampling in the well-tempered ensemble

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14 mai 2009
publication

PLUMED: A portable plugin for free-energy calculations with molecular dynamics

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01 janv. 2009
publication

Reconstructing the equilibrium Boltzmann distribution from well-tempered metadynamics

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24 sept. 2008
publication

The unfolded ensemble and folding mechanism of the C-terminal GB1 beta-hairpin

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15 juin 2007
publication

Insight into the folding inhibition of the HIV-1 protease by a small peptide

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