Ligne de temps

Max Bonomi
Chef(fe) de Groupe
30 May 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 May 2022
tool

HARIBOSS

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20 May 2022
publication

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

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03 May 2022
publication

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

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21 Apr 2022
publication

Artificial Intelligence: Exploring the conformational diversity of proteins

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16 Feb 2022
publication

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

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10 Sep 2021
publication

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

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08 Sep 2021
publication

Multi-replica biased sampling for photoisomerization processes in conjugated polymers

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25 May 2021
publication

Small-molecule inhibition of Lats kinases may promote Yap-dependent proliferation in postmitotic mammalian tissues.

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03 Mar 2021
project

Targeting RNA structure and dynamics with small molecules

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03 Mar 2021
project

Integrative modelling of protein structure and dynamics with cryo-EM

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03 Feb 2021
team

Biologie structurale intégrative des systèmes dynamiques

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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 Feb 2020
publication

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

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03 Jul 2019
tool

PLUMED-NEST

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01 Jul 2019
publication

Promoting transparency and reproducibility in enhanced molecular simulations

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01 Jul 2019
publication

Biomolecular Simulations: Methods and Protocols

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01 Jun 2019
publication

Determination of protein structural ensembles using cryo-electron microscopy

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09 May 2019
publication

Effects of α-tubulin acetylation on microtubule structure and stability

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01 Feb 2019
event

Determining the structure and dynamics of biological systems using integrative approaches

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24 Jan 2019
publication

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

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10 Jan 2019
event

CECAM school: Open source software for enhanced-sampling simulations

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01 Jan 2019
publication

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

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01 Jan 2019
publication

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

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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 Sep 2018
publication

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

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25 Jun 2018
publication

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

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10 Apr 2018
publication

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

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26 Mar 2018
publication

Structural Ensemble Modulation upon Small-Molecule Binding to Disordered Proteins

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01 Jan 2018
publication

Integrative structure modeling with the Integrative Modeling Platform

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15 Dec 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 Aug 2017
publication

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

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22 Jul 2017
publication

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

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22 Mar 2017
publication

Simultaneous quantification of protein order and disorder

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05 Jan 2017
publication

Principles of protein structural ensemble determination

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26 Aug 2016
publication

Metadynamic metainference: Enhanced sampling of the metainference ensemble using metadynamics

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11 Mar 2016
publication

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

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22 Jan 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 Aug 2015
publication

Specific Ion Binding at Phospholipid Membrane Surfaces

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20 Aug 2015
publication

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

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11 May 2015
team

Bioinformatique structurale

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01 Jan 2015
publication

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

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01 Jan 2015
publication

Tackling sampling challenges in biomolecular simulations

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19 Aug 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 Jul 2014
publication

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

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12 Apr 2014
publication

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

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06 Feb 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 Jan 2014
publication

PLUMED 2: New feathers for an old bird

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01 Jan 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 May 2013
publication

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

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03 Apr 2013
publication

Funnel metadynamics as accurate binding free-energy method

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31 Mar 2013
publication

Crystal structure of a eukaryotic phosphate transporter

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29 Aug 2012
publication

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

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20 Jun 2012
publication

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

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08 Jun 2011
publication

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

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19 May 2011
publication

Assessing the Quality of the OPEP Coarse-Grained Force Field

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01 Jan 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 May 2010
publication

Linking well-tempered metadynamics simulations with experiments

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09 Mar 2010
publication

Molecular basis of cyclooxygenase enzymes (COXs) selective inhibition

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01 Jan 2010
publication

Enhanced sampling in the well-tempered ensemble

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14 May 2009
publication

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

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01 Jan 2009
publication

Reconstructing the equilibrium Boltzmann distribution from well-tempered metadynamics

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24 Sep 2008
publication

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

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15 Jun 2007
publication

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

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