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Publications by Ginevra Licandro

Structure Based Modeling of Small Molecules Binding to the TLR7 by Atomistic Level Simulations

Organic Chemistry

Molecular Medicine

Analytical Chemistry

Theoretical Chemistry

Pharmaceutical Science

English

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Predicting Dislocation Climb: Classical Modeling Versus Atomistic Simulations

Physical Review B

English

Atomistic Simulations of Resistance to Amorphization by Radiation Damage

Physical Review B

English

Modeling Dynamic Fracture Using Large-Scale Atomistic Simulations

English

Stochastic Continuum Modeling of Random Interphases From Atomistic Simulations. Application to a Polymer Nanocomposite

Computer Methods in Applied Mechanics and Engineering

Mechanics of Materials

Mechanical Engineering

Computer Science Applications

Computational Mechanics

English

From Atomistic Structure to Thermodynamics and Mechanical Properties of Epoxy/Clay Nanocomposites: Investigation by Molecular Dynamics Simulations

Computational Materials Science

Mechanics of Materials

Materials Science

Computer Science

Computational Mathematics

English

Insights Into the Binding of GABA to the Insect RDL Receptor From Atomistic Simulations: A Comparison of Models

Journal of Computer-Aided Molecular Design

Theoretical Chemistry

Computer Science Applications

English

Ab Initio Modeling of Small Proteins by Iterative TASSER Simulations

Developmental Biology

Molecular Biology

Biological Sciences

Structural Biology

English

Atomistic Simulations of Flash Memory Materials Based on Chalcogenide Glasses

English

Theory and Modeling of RNA Structure and Interactions With Metal Ions and Small Molecules

Annual Review of Biophysics

Structural Biology

English