Veronica Salmaso

Deciphering the Complexity of Ligand–Protein Recognition Pathways Using Supervised Molecular Dynamics (SuMD) Simulations

Alberto Cuzzolin, Mattia Sturlese, Giuseppe Deganutti et al. · Journal of Chemical Information and Modeling · 2016 · 98 citations

Engineering, Molecular Biology, Molecular Dynamics +16

Exploring Protein-Peptide Recognition Pathways Using a Supervised Molecular Dynamics Approach

Veronica Salmaso, Mattia Sturlese, Alberto Cuzzolin et al. · Structure · 2017 · 74 citations

Interactomics, Protein Folding, Protein-peptide Recognition Pathways +11

AquaMMapS: An Alternative Tool to Monitor the Role of Water Molecules During Protein–Ligand Association

Alberto Cuzzolin, Giuseppe Deganutti, Veronica Salmaso et al. · ChemMedChem · 2017 · 39 citations · Full text

Combining self- and cross-docking as benchmark tools: the performance of DockBench in the D3R Grand Challenge 2

Veronica Salmaso, Mattia Sturlese, Alberto Cuzzolin et al. · Journal of Computer-Aided Molecular Design · 2017 · 33 citations

Performance Benchmarking, Benchmarking Tool, Engineering +7

Exploration of Alternative Scaffolds for P2Y₁₄ Receptor Antagonists Containing a Biaryl Core

Kwan‐Young Jung, Jinha Yu, Zhiwei Wen et al. · Journal of Medicinal Chemistry · 2020 · 33 citations · Full text