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Lista de obras de Alessandro Barducci

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

artículo científico publicado en 2014

Aromatic Ring Dynamics, Thermal Activation, and Transient Conformations of a 468 kDa Enzyme by Specific 1H-13C Labeling and Fast Magic-Angle Spinning NMR

scientific article published on 05 July 2019

Assessing the Quality of the OPEP Coarse-Grained Force Field

scientific article published on 19 May 2011

Behavior of polarizable models in presence of strong electric fields. I. Origin of nonlinear effects in water point-charge systems

scientific article published on 01 November 2005

Catch bond drives stator mechanosensitivity in the bacterial flagellar motor.

artículo científico publicado en 2017

Chaperones convert the energy from ATP into the nonequilibrium stabilization of native proteins.

artículo científico publicado en 2018

Combining metadynamics simulation and experiments to characterize dendrimers in solution

Communication: Role of explicit water models in the helix folding/unfolding processes

artículo científico publicado en 2016

Crooks equation for steered molecular dynamics using a Nosé-Hoover thermostat.

artículo científico publicado en 2006

DNA-segment-capture model for loop extrusion by structural maintenance of chromosome (SMC) protein complexes

artículo científico publicado en 2019

Effect of the Synaptic Plasma Membrane on the Stability of the Amyloid Precursor Protein Homodimer.

artículo científico publicado en 2016

Effect of urea on the β-hairpin conformational ensemble and protein denaturation mechanism.

artículo científico publicado en 2011

Efficient conversion of chemical energy into mechanical work by Hsp70 chaperones

scientific article published on 17 December 2019

Emerging fields in chaperone proteins: A French workshop

article

Evolution of an intricate J-protein network driving protein disaggregation in eukaryotes.

artículo científico publicado en 2017

Free-energy landscape of protein oligomerization from atomistic simulations

artículo científico publicado en 2013

Function, evolution, and structure of J-domain proteins

scientific article published on 26 November 2018

Generalization of the Jarzynski and Crooks nonequilibrium work theorems in molecular dynamics simulations.

artículo científico publicado en 2007

Hsp70 chaperones are non-equilibrium machines that achieve ultra-affinity by energy consumption

artículo científico publicado en 2014

Insights into the activation mechanism of human estrogen-related receptor γ by environmental endocrine disruptors

scientific article published on 24 May 2019

Interplay of Protein Disorder in Retinoic Acid Receptor Heterodimer and Its Corepressor Regulates Gene Expression

artículo científico publicado en 2019

Large-Scale Conformational Transitions and Dimerization Are Encoded in the Amino-Acid Sequences of Hsp70 Chaperones

artículo científico publicado en 2015

Linking well-tempered metadynamics simulations with experiments.

artículo científico publicado en 2010

Metadynamics simulation of prion protein: beta-structure stability and the early stages of misfolding

artículo científico publicado en 2006

Modeling Hsp70/Hsp40 interaction by multi-scale molecular simulations and coevolutionary sequence analysis

artículo científico publicado en 2017

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

artículo científico publicado en 2010

Non-equilibrium conformational dynamics in the function of molecular chaperones.

artículo científico

Nucleation of Biomolecular Condensates from Finite-Sized Simulations

artículo científico publicado en 2023

Numerical verification of the generalized Crooks nonequilibrium work theorem for non-Hamiltonian molecular dynamics simulations.

artículo científico publicado en 2007

Prion protein β2-α2 loop conformational landscape

artículo científico publicado en 2017

Probing the mechanism of pH-induced large-scale conformational changes in dengue virus envelope protein using atomistic simulations

artículo científico publicado en 2010

Quantifying the role of chaperones in protein translocation by computational modeling

artículo científico publicado en 2015

Reconstructing the equilibrium Boltzmann distribution from well-tempered metadynamics.

artículo científico publicado en 2009

Recovering the Crooks equation for dynamical systems in the isothermal-isobaric ensemble: a strategy based on the equations of motion

artículo científico publicado en 2007

Replica Temperatures for Uniform Exchange and Efficient Roundtrip Times in Explicit Solvent Parallel Tempering Simulations

scientific article published on 22 June 2011

Self-healing umbrella sampling: a non-equilibrium approach for quantitative free energy calculations

scientific article published on 01 July 2006

Single-molecule spectroscopy reveals chaperone-mediated expansion of substrate protein

artículo científico publicado en 2014

Structural and energetic basis for hybridization limits in high-density DNA monolayers

artículo científico publicado en 2013

Structural basis for chemically-induced homodimerization of a single domain antibody

artículo científico publicado en 2019

Tackling sampling challenges in biomolecular simulations

artículo científico publicado en 2015

The OPEP protein model: from single molecules, amyloid formation, crowding and hydrodynamics to DNA/RNA systems

artículo científico publicado en 2014

The allosteric communication pathways in KIX domain of CBP ⬇️

artículo científico publicado el 12 de agosto de 2013

Theoretical and experimental characterization of amino-PEG-phosphonate-terminated Polyphosphorhydrazone dendrimers: Influence of size and PEG capping on cytotoxicity profiles

Well-Tempered Metadynamics: A Smoothly Converging and Tunable Free-Energy Method

artículo científico publicado en 2008

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