Antonio Monari

This study identifies small molecule modulators of ILT3, a myeloid immune checkpoint, showing anti-tumor efficacy in preclinical models.

This study shows that DDB2 binding causes different DNA deformations depending on the cyclobutane pyrimidine dimer type, which explains the varying repair rates observed in human cells.

The paper uses molecular dynamics simulations to show how Aspein, an acidic protein from pearl oysters, controls calcium carbonate polymorphism by sequestering Ca2+ and stabilizing calcite over aragonite.

This paper investigates how the E/Z isomerization of azobenzene-based lipids affects innate immune response activation through molecular dynamics simulations.

This study investigates how phosphorylation at S138 and S348 affects the structure and aggregation of the intrinsically disordered protein DPF3a, showing conformational changes and altered fibrillation kinetics.

The paper uses molecular dynamics simulations to study the interaction between Acinetobacter baumannii's OmpA protein and human fibronectin, identifying potential drug targets for immune evasion.

This study investigates how environmental factors like pH and ionic strength affect the conformational and amyloidogenic properties of DPF3a using biophysical and molecular dynamics methods.

The paper uses molecular dynamics simulations to study how a PDT drug conjugated with folic acid interacts with the folate receptor, showing stable complex formation and unchanged optical properties.

The paper shows that tris bipyridine iron complexes interact with the IRE RNA stem-loop, affecting ferritin translation and iron homeostasis.

This study designs and computationally analyzes TPA-temoporfin conjugates to enhance PDT efficiency in deep tissues by improving solubility and NIR absorption.

AGAPE predicts G-quadruplex binding affinity using ML, achieving 91% accuracy with molecular descriptors and quantum chemistry data.

This study identifies intercalation as the dominant binding mode of palmatine to DNA through long-range molecular dynamics simulations and enhanced sampling.

The paper predicts the atomic structure of a guanine quadruplex in TMPRSS2 mRNA using circular dichroism and molecular modeling.

This study uses molecular dynamics simulations to investigate how viral RNA activates the OAS/RNase L immune pathway by altering OAS conformation and free energy profiles.

This study investigates the structural properties of the N-terminal region of TFIP11, showing it behaves as a polyampholytic intrinsically disordered protein with salt-dependent conformational changes.

The paper shows that Yersinia pestis Ail protein interacts with vitronectin's C-terminal domain, forming a stable complex that helps the bacteria evade the immune system.

This study uses molecular dynamics simulations to investigate the interaction of TIM-3 with phosphatidylserine lipids in a membrane, revealing molecular mechanisms and thermodynamics relevant to immune regulation and cancer.