Timeline

Max Bonomi
Permanent Researcher
29 Jul 2019
publication

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

Read more
03 Jul 2019
tool

PLUMED-NEST

Read more
01 Jul 2019
publication

Promoting transparency and reproducibility in enhanced molecular simulations

Read more
01 Jul 2019
publication

Biomolecular Simulations: Methods and Protocols

Read more
01 Jun 2019
publication

Determination of protein structural ensembles using cryo-electron microscopy

Read more
09 May 2019
publication

Effects of α-tubulin acetylation on microtubule structure and stability

Read more
01 Feb 2019
event

Determining the structure and dynamics of biological systems using integrative approaches

Read more
24 Jan 2019
publication

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

Read more
10 Jan 2019
event

CECAM school: Open source software for enhanced-sampling simulations

Read more
01 Jan 2019
publication

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

Read more
01 Jan 2019
publication

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

Read more
23 Nov 2018
software

PLUMED

Read more
14 Nov 2018
publication

Determination of Structural Ensembles of Proteins: Restraining vs Reweighting

Read more
02 Nov 2018
publication

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

Read more
06 Sep 2018
publication

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

Read more
25 Jun 2018
publication

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

Read more
10 Apr 2018
publication

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

Read more
26 Mar 2018
publication

Structural Ensemble Modulation upon Small-Molecule Binding to Disordered Proteins

Read more
01 Jan 2018
publication

Integrative structure modeling with the Integrative Modeling Platform

Read more
15 Dec 2017
publication

Integrative structural and dynamical biology with PLUMED-ISDB

Read more
31 Oct 2017
software

Integrative Modelling Platform

Read more
16 Aug 2017
publication

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

Read more
22 Jul 2017
publication

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

Read more
22 Mar 2017
publication

Simultaneous quantification of protein order and disorder

Read more
05 Jan 2017
publication

Principles of protein structural ensemble determination

Read more
26 Aug 2016
publication

Metadynamic metainference: Enhanced sampling of the metainference ensemble using metadynamics

Read more
11 Mar 2016
publication

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

Read more
22 Jan 2016
publication

Metainference: A Bayesian inference method for heterogeneous systems

Read more
12 Nov 2015
publication

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

Read more
09 Oct 2015
publication

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

Read more
07 Oct 2015
publication

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

Read more
26 Aug 2015
publication

Specific Ion Binding at Phospholipid Membrane Surfaces

Read more
20 Aug 2015
publication

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

Read more
11 May 2015
team

Structural Bioinformatics

Read more
01 Jan 2015
publication

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

Read more
01 Jan 2015
publication

Tackling sampling challenges in biomolecular simulations

Read more
19 Aug 2014
publication

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

Read more
31 Jul 2014
publication

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

Read more
12 Apr 2014
publication

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

Read more
06 Feb 2014
publication

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

Read more
01 Jan 2014
publication

PLUMED 2: New feathers for an old bird

Read more
01 Jan 2014
publication

Modeling of proteins and their assemblies with the Integrative Modeling Platform

Read more
18 Nov 2013
publication

Free-energy landscape of protein oligomerization from atomistic simulations

Read more
19 May 2013
publication

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

Read more
03 Apr 2013
publication

Funnel metadynamics as accurate binding free-energy method

Read more
31 Mar 2013
publication

Crystal structure of a eukaryotic phosphate transporter

Read more
29 Aug 2012
publication

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

Read more
20 Jun 2012
publication

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

Read more
08 Jun 2011
publication

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

Read more
19 May 2011
publication

Assessing the Quality of the OPEP Coarse-Grained Force Field

Read more
01 Jan 2011
publication

Metadynamics

Read more
13 Oct 2010
publication

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

Read more
19 May 2010
publication

Linking well-tempered metadynamics simulations with experiments

Read more
09 Mar 2010
publication

Molecular basis of cyclooxygenase enzymes (COXs) selective inhibition

Read more
01 Jan 2010
publication

Enhanced sampling in the well-tempered ensemble

Read more
14 May 2009
publication

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

Read more
01 Jan 2009
publication

Reconstructing the equilibrium Boltzmann distribution from well-tempered metadynamics

Read more
24 Sep 2008
publication

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

Read more
15 Jun 2007
publication

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

Read more