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Publications by Ivan Santos

Modeling SiGe Through Classical Molecular Dynamics Simulations: Chasing an Appropriate Empirical Potential

English

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Improvement in Empirical Potential Functions for Increasing the Utility of Molecular Dynamics Simulations

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An Improved Empirical Potential Energy Function for Molecular Simulations of Phospholipids

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Thermal Conductivity of Dusty Plasmas Through Molecular Dynamics Simulations

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Large Scale Molecular Dynamics Simulations of Three Classical Cadherins Involved in Cell Adhesion

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Discovery and Evaluation of Potential Sonic Hedgehog Signaling Pathway Inhibitors Using Pharmacophore Modeling and Molecular Dynamics Simulations

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Analysis of Compounds Isolated From Gnetum Gnemon L. Seeds as Potential ACE Inhibitors Through Molecular Docking and Molecular Dynamics Simulations

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Modeling Vibrational Behavior of Silicon Nanowires Using Accelerated Molecular Dynamics Simulations

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Predicting Dislocation Climb: Classical Modeling Versus Atomistic Simulations

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