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Marilisa Neri

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Marilisa Neri

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Origin of the Spectral Shifts among the Early Intermediates of the Rhodopsin Photocycle

Wagging the Tail: Essential Role of Substrate Flexibility in FAAH Catalysis

Characterization of Molecular Determinants of the Conformational Stability of Macrophage Migration Inhibitory Factor: Leucine 46 Hydrophobic Pocket

Integrating computational methods to retrofit enzymes to synthetic pathways

Predicting Novel Binding Modes of Agonists to β Adrenergic Receptors Using All-Atom Molecular Dynamics Simulations

Mixed Quantum Mechanical/Molecular Mechanical (QM/MM) simulations of Adiabatic and Nonadiabatic Ultrafast Phenomena

Pushing the Frontiers of First-Principles Based Computer Simulations of Chemical and Biological Systems

A conserved protonation-induced switch can trigger "ionic lock" formation in adrenergic receptors