Hector Martinez‐Seara

This study shows that protein crowding reduces lipid order in membranes, eliminating the liquid-gel phase transition similar to cholesterol's effect.

The paper uses molecular dynamics simulations to study how sulfation and monosaccharide composition affect GAG secondary structures and introduces a classification metric.

This study investigates HA-peptide interactions at submicromolar concentrations using multiple techniques, revealing selective multivalent binding and dynamic supramolecular complex formation.

This study evaluates force fields for sulfated glycosaminoglycans using ab initio MD simulations, finding that charge-scaled models better capture Ca2+ binding than others.

prosECCo75 improves MD simulations by incorporating electronic polarization, enhancing accuracy in modeling electrostatic interactions in biological systems without increasing computational cost.

This study shows how N-glycosylation modulates CD44's binding to hyaluronan by altering binding site affinity and promoting weaker interactions.