Area of research
Renewable Energy, Sustainability and the Environment · Electrical and Electronic Engineering
Research interest
Research interests include Chemistry, Biology, Metadynamics, Molecular dynamics, Ligand (biochemistry), and Cell biology.
Impact of Genetic Variants Associated with Neurodevelopmental Disorders on the WAVE Regulatory Complex
Common characteristics of variants linked to autism spectrum disorder in the WAVE regulatory complex
Molecular basis of the <scp>CYFIP2</scp> and <scp>NCKAP1</scp> autism‐linked variants in the <scp>WAVE</scp> regulatory complex
Metadynamics simulations of ligands binding to protein surfaces: a novel tool for rational drug design
Predictions of the Poses and Affinity of a Ligand over the Entire Surface of a NEET Protein: The Case of Human MitoNEET
An anti-diabetic drug targets NEET (CISD) proteins through destabilization of their [2Fe-2S] clusters
Multiple Poses and Thermodynamics of Ligands Targeting Protein Surfaces: The Case of Furosemide Binding to mitoNEET in Aqueous Solution
Structure-Based Screening Reveals a Ligand That Stabilizes the [2Fe-2S] Clusters of Human mitoNEET and Reduces Ovarian Cancer Cell Proliferation
Predictions of the poses and affinity of a ligand over the entire surface of a NEET protein: the case of human mitoNEET
The two redox states of the human NEET proteins’ [2Fe–2S] clusters
The balancing act of NEET proteins: Iron, ROS, calcium and metabolism
NEET proteins as novel drug targets for mitochondrial dysfunction
PD-L1 Nanobody Competitively Inhibits the Formation of the PD-1/PD-L1 Complex: Comparative Molecular Dynamics Simulations
3D-QSAR, Molecular Docking and Molecular Dynamics Simulation of Pseudomonas aeruginosa LpxC Inhibitors
An effective HIV-1 integrase inhibitor screening platform: Rationality validation of drug screening, conformational mobility and molecular recognition analysis for PFV integrase complex with viral DNA