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Marianne Seijo

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Marianne Seijo

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Enzyme annotation for orphan and novel reactions using knowledge of substrate reactive sites

Surface charging behavior of nanoparticles by considering site distribution and density, dielectric constant and pH changes – a Monte Carlo approach

Explicit solvent simulations of the aqueous oxidation potential and reorganization energy for neutral molecules: Gas phase, linear solvent response, and non-linear response contributions

A computational framework for integration of lipidomics data into metabolic pathways

A novel approach to find the missing links in genome-scale metabolic models: The BridgeIt mrthod

Formation of Complexes between Nanoparticles and Weak Polyampholyte Chains. Monte Carlo Simulations

Dielectric discontinuity effects on the adsorption of a linear polyelectrolyte at the surface of a neutral nanoparticle

Modeling the Adsorption and Coagulation of Fulvic Acids on Colloids by Brownian Dynamics Simulations

Modeling the surface charge evolution of spherical nanoparticles by considering dielectric discontinuity effects at the solid/electrolyte solution interface

A Monte Carlo Study of Weak Polyampholytes: Stiffness and Primary Structure Influences on Titration Curves and Chain Conformations