Timeline
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Max Bonomi
Head of Structure
08 Jul 2024
publication
Identifying small-molecules binding sites in RNA conformational ensembles with SHAMAN.
Read more01 Feb 2024
08 Sep 2023
publication
Genotype and Phenotype Characterization of Rhinolophus sp. Sarbecoviruses from Vietnam: Implications for Coronavirus Emergence.
Read more24 May 2023
05 Apr 2023
publication
SARS‐CoV‐2‐related bat virus behavior in human‐relevant models sheds light on the origin of COVID‐19
Read more30 May 2022
publication
Determination of the structure and dynamics of the fuzzy coat of an amyloid fibril of IAPP using cryo-electron microscopy
Read more20 May 2022
20 May 2022
publication
HARIBOSS: a curated database of RNA-small molecules structures to aid rational drug design
Read more03 May 2022
publication
Describing Inhibitor Specificity for the Amino Acid Transporter LAT1 from Metainference Simulations
Read more21 Apr 2022
14 Apr 2022
16 Feb 2022
publication
Discovery of bat coronaviruses close to SARS-CoV-2 and infectious for human cells.
Read more10 Sep 2021
publication
Rational design of ASCT2 inhibitors using an integrated experimental-computational approach
Read more08 Sep 2021
publication
Multi-replica biased sampling for photoisomerization processes in conjugated polymers
Read more03 Mar 2021
03 Mar 2021
03 Feb 2021
08 Oct 2020
publication
Small molecule sequestration of amyloid-β as a drug discovery strategy for Alzheimer’s disease
Read more04 Feb 2020
publication
What will computational modelling approaches have to say in the era of atomistic cryo-EM data?
Read more03 Jul 2019
01 Jul 2019
01 Jul 2019
01 Jun 2019
09 May 2019
01 Feb 2019
event
Determining the structure and dynamics of biological systems using integrative approaches
Read more24 Jan 2019
publication
A practical guide to the simultaneous determination of protein structure and dynamics using metainference
Read more10 Jan 2019
01 Jan 2019
publication
Bayesian Weighing of Electron Cryo-Microscopy Data for Integrative Structural Modeling
Read more01 Jan 2019
publication
A Solid-State NMR and MD Study of the Structure of the Statherin Mutant SNa15 on Mineral Surfaces
Read more23 Nov 2018
14 Nov 2018
02 Nov 2018
publication
A Versatile Computational Strategy To Characterize the Free-Energy Landscape of Excited States in Oligofluorenes
Read more06 Sep 2018
publication
Biasing Smarter, Not Harder, by Partitioning Collective Variables into Families in Parallel Bias Metadynamics
Read more25 Jun 2018
publication
Reversible inhibition of the ClpP protease via an N-terminal conformational switch
Read more10 Apr 2018
publication
Simultaneous Determination of Protein Structure and Dynamics Using Cryo-Electron Microscopy
Read more26 Mar 2018
publication
Structural Ensemble Modulation upon Small-Molecule Binding to Disordered Proteins
Read more01 Jan 2018
15 Dec 2017
31 Oct 2017
16 Aug 2017
publication
The molecular architecture of the yeast spindle pole body core determined by Bayesian integrative modeling
Read more22 Jul 2017
publication
Sequence Specificity in the Entropy-Driven Binding of a Small Molecule and a Disordered Peptide
Read more22 Mar 2017
05 Jan 2017
26 Aug 2016
publication
Metadynamic metainference: Enhanced sampling of the metainference ensemble using metadynamics
Read more11 Mar 2016
publication
Free energy landscapes of sodium ions bound to DMPC-cholesterol membrane surfaces at infinite dilution
Read more22 Jan 2016
12 Nov 2015
publication
The molecular architecture of the Dam1 kinetochore complex is defined by cross-linking based structural modelling
Read more09 Oct 2015
publication
Efficient Sampling of High-Dimensional Free-Energy Landscapes with Parallel Bias Metadynamics
Read more07 Oct 2015
publication
Ligand Discovery for the Alanine-Serine-Cysteine Transporter (ASCT2, SLC1A5) from Homology Modeling and Virtual Screening
Read more26 Aug 2015
20 Aug 2015
publication
Structural Model of the Bilitranslocase Transmembrane Domain Supported by NMR and FRET Data
Read more01 Jan 2015
01 Jan 2015
publication
Accuracy of current all-atom force-fields in modeling protein disordered states
Read more19 Aug 2014
publication
Determining protein complex structures based on a Bayesian model of in vivo Förster resonance energy transfer (FRET) data
Read more31 Jul 2014
publication
Cys-scanning disulfide crosslinking and bayesian modeling probe the transmembrane signaling mechanism of the histidine kinase, PhoQ
Read more12 Apr 2014
publication
Elucidating the mechanism of substrate recognition by the bacterial Hsp90 molecular chaperone
Read more06 Feb 2014
publication
The free energy profile of tubulin straight-bent conformational changes, with implications for microtubule assembly and drug discovery
Read more01 Jan 2014
01 Jan 2014
publication
Modeling of proteins and their assemblies with the Integrative Modeling Platform
Read more18 Nov 2013
19 May 2013
publication
Structural basis for alternating access of a eukaryotic calcium/proton exchanger
Read more03 Apr 2013
31 Mar 2013
29 Aug 2012
publication
High selectivity of the γ-aminobutyric acid transporter 2 (GAT-2, SLC6A13) revealed by structure-based approach
Read more20 Jun 2012
publication
Efficient Simulation of Explicitly Solvated Proteins in the Well-Tempered Ensemble
Read more08 Jun 2011
publication
A chirality-based metrics for free-energy calculations in biomolecular systems
Read more19 May 2011
01 Jan 2011
13 Oct 2010
19 May 2010
09 Mar 2010
01 Jan 2010
14 May 2009
publication
PLUMED: A portable plugin for free-energy calculations with molecular dynamics
Read more01 Jan 2009
publication
Reconstructing the equilibrium Boltzmann distribution from well-tempered metadynamics
Read more24 Sep 2008
publication
The unfolded ensemble and folding mechanism of the C-terminal GB1 beta-hairpin
Read more15 Jun 2007