Combining cellular automata and lattice Boltzmann method to model multiscale avascular tumor growth coupled with nutrient diffusion and immune competition

Davide Alemani, Francesco Pappalardo, Marzio Pennisi, +2

Journal of Immunological Methods

EngineeringCellular AutomataBiological MicroenvironmentsLattice Boltzmann MethodMulticellular System +10

A Nonradial Coarse-Grained Potential for Proteins Produces Naturally Stable Secondary Structure Elements

Davide Alemani, Francesca Collu, Michele Cascella, +1

Journal of Chemical Theory and Computation

EngineeringProtein AssemblyMolecular BiologyProtein Phase SeparationAnalytical Ultracentrifugation +21

ImmunoGrid: towards agent-based simulations of the human immune system at a natural scale <sup />

Mark Halling‐Brown, Francesco Pappalardo, Nicolas Rapin, +22

Philosophical Transactions of the Royal Society A Mathematical Physical and Engineering Sciences

Human Immune SystemSystem MedicineImmunologyArtificial Immune SystemImmunological Computing +15

ImmunoGrid, an integrative environment for large-scale simulation of the immune system for vaccine discovery, design and optimization

Francesco Pappalardo, Mark Halling‐Brown, Nicolas Rapin, +20

Briefings in Bioinformatics

EngineeringArtificial Immune SystemImmunologyImmunodominanceImmunological Computing +19

LBGK method coupled to time splitting technique for solving reaction-diffusion processes in complex systems

Davide Alemani, Bastien Chopard, Josep Galceran, +1

Physical Chemistry Chemical Physics

Electrostatic-Consistent Coarse-Grained Potentials for Molecular Simulations of Proteins

Enrico Spiga, Davide Alemani, Matteo T. Degiacomi, +2

Journal of Chemical Theory and Computation

EngineeringProtein FoldingMedicineMolecular BiologyNew Generation +12

Metal Flux and Dynamic Speciation at (Bio)Interfaces. Part III: MHEDYN, a General Code for Metal Flux Computation; Application to Simple and Fulvic Complexants

Davide Alemani, Jacques Buffle, Zeshi Zhang, +2

Environmental Science & Technology

FLUXY: a simple code for computing steady-state metal fluxes at consuming (bio)interfaces, in natural waters

Zeshi Zhang, Jacques Buffle, Konstantin Startchev, +1

Environmental Chemistry

Two grid refinement methods in the lattice Boltzmann framework for reaction–diffusion processes in complex systems

Davide Alemani, Bastien Chopard, Josep Galceran, +1

Physical Chemistry Chemical Physics

Numerical AnalysisEngineeringComplex SystemsComputational MechanicsRefinement Factors +20

Metal Flux and Dynamic Speciation at (Bio)Interfaces. Part IV: MHEDYN, a General Code for Metal Flux Computation; Application to Particulate Complexants and Their Mixtures with the Other Natural Ligands

Davide Alemani, Jacques Buffle, Zeshi Zhang, +2

Environmental Science & Technology