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List of works by Matteo Salvalaglio

1,3,5-Tris(4-bromophenyl)benzene prenucleation clusters from metadynamics

scientific article published on 31 January 2014

A two level hierarchical model of protein retention in ion exchange chromatography.

scientific article

Analyzing and Driving Cluster Formation in Atomistic Simulations.

scientific article published on 25 January 2017

Assessing the Reliability of the Dynamics Reconstructed from Metadynamics

scientific article published on 10 March 2014

Building maps in collective variable space

scientific article published on 01 September 2018

CO2 packing polymorphism under pressure: Mechanism and thermodynamics of the I-III polymorphic transition

scientific article published in September 2017

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

scientific article published in September 2016

Concentration gradient driven molecular dynamics: a new method for simulations of membrane permeation and separation.

scientific article published on 20 March 2017

Controlling and predicting crystal shapes: the case of urea.

scientific article published on 24 October 2013

DeepIce: A Deep Neural Network Approach To Identify Ice and Water Molecules

scientific article published on 27 March 2019

Determination of energies and sites of binding of PFOA and PFOS to human serum albumin.

scientific article published on 28 October 2010

Diffusion and aggregation of sodium fluorescein in aqueous solutions

scientific article published on 19 October 2011

Dynamics and thermodynamics of Ibuprofen conformational isomerism at the crystal/solution interface

scientific article published on 07 November 2018

Experimental and theoretical investigation of effect of spacer arm and support matrix of synthetic affinity chromatographic materials for the purification of monoclonal antibodies

scientific article published in July 2010

Heterogeneous Crystallization of the Phase Change Material GeTe via Atomistic Simulations

Into the Dynamics of a Supramolecular Polymer at Submolecular Resolution.

scientific article published on 27 July 2017

Kinetics of protein-ligand unbinding: Predicting pathways, rates, and rate-limiting steps

scientific article

Metadynamics studies of crystal nucleation

scientific article

Modeling the Structure and Interactions of Intrinsically Disordered Peptides with Multiple Replica, Metadynamics-Based Sampling Methods and Force-Field Combinations

scientific article published on 17 February 2022

Molecular Level Understanding of the Free Energy Landscape in Early Stages of MOF Nucleation

Molecular Level Understanding of the Free Energy Landscape in Early Stages of Metal-Organic Framework Nucleation

scientific article published on 29 March 2019

Molecular modeling of protein A affinity chromatography.

scientific article published on 18 April 2009

Molecular modeling to rationalize ligand-support interactions in affinity chromatography

scientific article published on 02 December 2011

Molecular-dynamics simulations of urea nucleation from aqueous solution

scientific article

Nucleation in complex multi-component and multi-phase systems: general discussion

scientific article published on 17 June 2015

Nucleation of Biomolecular Condensates from Finite-Sized Simulations

scientific article published in 2023

On the Role of Enthalpic and Entropic Contributions on the Conformational Free Energy Landscape of MIL-101(Cr) Structural Building Units

scientific article published on 16 October 2019

On the parallelism between the mechanisms behind chromatography and drug delivery: the role of interactions with a stationary phase

scientific article

Overcoming time scale and finite size limitations to compute nucleation rates from small scale well tempered metadynamics simulations ⬇️

scientific article published in December 2016

Serendipitous isolation of a disappearing conformational polymorph of succinic acid challenges computational polymorph prediction

Solvent Dynamics and Thermodynamics at the Crystal-Solution Interface of Ibuprofen

scientific article published on 26 July 2019

Solvent and additive interactions as determinants in the nucleation pathway: general discussion

Structural characterization of a Protein A mimetic peptide dendrimer bound to human IgG

scientific article published on 01 December 2009

Structural refinement of protein A mimetic peptide

scientific article published on 01 November 2011

Synthetic design of growth factor sequestering extracellular matrix mimetic hydrogel for promoting in vivo bone formation.

scientific article published on 3 February 2018

Tackling amyloidogenesis in Alzheimer's disease with A2V variants of Amyloid-β.

scientific article published on 11 February 2016

Time-independent free energies from metadynamics via mean force integration

scientific article published on 01 October 2019

Uncovering molecular details of urea crystal growth in the presence of additives

scientific article published on 04 October 2012

Understanding ligand-protein interactions in affinity membrane chromatography for antibody purification.

scientific article

Urea homogeneous nucleation mechanism is solvent dependent

scientific article published on 13 April 2015

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