18 citations · 60 across the 8 of their papers we have counts for
8 papers
SiteFerret: beyond simple pocket identification in proteins
Luca Gagliardi, Walter Rocchia
We present a novel method for the automatic detection of pockets on protein molecular surfaces. The algorithm is based on an ad hoc hierarchical clustering of virtual SES probe sph…
SHREC 2022: Protein-ligand binding site recognition
Luca Gagliardi, Andrea Raffo, Ulderico Fugacci +12
This paper presents the methods that have participated in the SHREC 2022 contest on protein-ligand binding site recognition. The prediction of protein-ligand binding regions is an…
Controlling anisotropy in 2D microscopic models of growth
Luca Gagliardi, Olivier Pierre-Louis
The quantitative knowledge of interface anisotropy in lattice models is a major issue, both for the parametrization of continuum interface models, and for the analysis of experimen…
The Nonequilibrium Crystallization Force
Luca Gagliardi, Olivier Pierre-Louis
The forces exerted by growing crystals on the surrounding materials play a major role in many geological processes, from diagenetic replacement to rock weathering and uplifting of…
Confined Growth with slow surface kinetics: a Thin Film Model approach
Luca Gagliardi, Olivier Pierre-Louis
Recent experimental and theoretical investigations of crystal growth from solution in the vicinity of an impermeable wall have shown that: (i) growth can be maintained within the c…
Crystal growth in nano-confinement: Subcritical cavity formation and viscosity effects
Luca Gagliardi, Olivier Pierre-Louis
We report on the modeling of the formation of a cavity at the surface of crystals confined by a flat wall during growth in solution. Using a continuum thin film model, we discuss t…
Cavity formation in confined growing crystals
Felix Kohler, Luca Gagliardi, Olivier Pierre-Louis +1
Growing crystals form a cavity when placed against a wall. The birth of the cavity is observed both by optical microscopy of sodium chlorate crystals (NaClO) growing in the vic…
Thin film modeling of crystal dissolution and growth in confinement
Luca Gagliardi, Olivier Pierre-Louis
We present a continuum model describing dissolution and growth of a crystal contact confined against a substrate. Diffusion and hydrodynamics in the liquid film separating the crys…