Nicola Piasentin

This study shows that disrupting pathological EGFR catalytic trimers reverses gefitinib resistance by rewiring signaling and slowing tumor growth.

This study uses simulations to show that buprenorphine restricts the conformational states of the μ-opioid receptor compared to endomorphin-1, affecting signaling bias and efficacy.

The paper determines cryo-EM structures of MEK1 activating ERK2, elucidating specificity and activation mechanisms in the MAPK pathway.

This paper introduces a computational framework to calculate activation free energies for class A GPCRs, showing agreement with previous methods and providing new insights for the μ-opioid receptor.

This paper introduces a data-driven method to construct solvation-based collective variables for molecular dynamics simulations, achieving accurate binding free energy landscapes with improved efficiency.

This paper introduces bio-inspired collective variables to improve protein folding simulations, accurately resolving free energy landscapes and identifying intermediates like the dry molten globule.

This study uses OneOPES to analyze the activation mechanism of ADRB1, revealing water-mediated interactions and structural changes important for receptor activation.